| Record Information |
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| Version | 1.0 |
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| Creation date | 2010-04-08 22:11:36 UTC |
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| Update date | 2015-07-20 23:13:44 UTC |
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| Primary ID | FDB015022 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Bis(2-methyl-3-furanyl)tetrasulfide |
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| Description | Bis(2-methyl-3-furanyl)tetrasulfide belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Bis(2-methyl-3-furanyl)tetrasulfide is a meaty and sulfury tasting compound. Based on a literature review very few articles have been published on Bis(2-methyl-3-furanyl)tetrasulfide. |
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| CAS Number | 28588-76-3 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Bis(2-methyl-3-furanyl)tetrasulphide | Generator | | 2-Methyl-3-furyl tetrasulfide | HMDB | | 3,3'-Tetrathiobis(2-methyl-furan | HMDB | | 3,3'-Tetrathiobis(2-methylfuran) | HMDB | | 3,3'-Tetrathiobis[2-methylfuran], 9ci, 8ci | HMDB | | Bis(2-methyl-3-furyl) tetrasulfide | HMDB | | Bis(2-methyl-3-furyl)-tetrasulfide | HMDB | | FEMA 3260 | HMDB | | 2-Methyl-3-{[(2-methylfuran-3-yl)disulphanyl]disulphanyl}furan | Generator | | 3,3'-Tetrathiobis[2-methylfuran], 9CI, 8CI | db_source | | Furan, 3,3'-tetrathiobis(2-methyl- | biospider | | Tetrasulfide, bis(2-methyl-3-furyl)- | biospider |
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| Predicted Properties | |
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| Chemical Formula | C10H10O2S4 |
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| IUPAC name | 2-methyl-3-{[(2-methylfuran-3-yl)disulfanyl]disulfanyl}furan |
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| InChI Identifier | InChI=1S/C10H10O2S4/c1-7-9(3-5-11-7)13-15-16-14-10-4-6-12-8(10)2/h3-6H,1-2H3 |
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| InChI Key | WCQMHJWTXQMUQE-UHFFFAOYSA-N |
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| Isomeric SMILES | CC1=C(SSSSC2=C(C)OC=C2)C=CO1 |
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| Average Molecular Weight | 290.445 |
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| Monoisotopic Molecular Weight | 289.956362324 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Heteroaromatic compounds |
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| Sub Class | Not Available |
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| Direct Parent | Heteroaromatic compounds |
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| Alternative Parents | |
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| Substituents | - Heteroaromatic compound
- Furan
- Oxacycle
- Sulfenyl compound
- Organic oxygen compound
- Hydrocarbon derivative
- Organosulfur compound
- Organooxygen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Biological location: Source: |
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| Role | Industrial application: Biological role: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Not Available | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Bis(2-methyl-3-furanyl)tetrasulfide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03di-9810000000-48358a76c0c055cf7163 | Spectrum | | Predicted GC-MS | Bis(2-methyl-3-furanyl)tetrasulfide, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0006-0290000000-36f60e02452d5ac60025 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0006-0290000000-a6fd1b1ebb934d11b286 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03k9-9600000000-ca13a4bdd174db581085 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-0090000000-c59d2677c7b5e0d9af4d | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-000i-0290000000-d7c3b6fecf16480f5849 | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-056r-0290000000-b463472e65c4790522be | 2016-08-03 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03fr-5900000000-a3f01bf78c61339a8e20 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-9000000000-bda92f13cfa445b06160 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-03di-8900000000-b6c823470ff39e58d60b | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0296-0920000000-88fdf996bb3cfacf765e | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-1900000000-4093dd28c8a738d20e7c | 2021-09-23 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-3900000000-bb03613848cbbc040bd9 | 2021-09-23 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 21242874 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | Not Available |
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| Pubchem Compound ID | 24832089 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | Not Available |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB36168 |
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| CRC / DFC (Dictionary of Food Compounds) ID | JXY05-S:JXY05-S |
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| EAFUS ID | 347 |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | rw1012481 |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | Not Available |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | | Flavor | Citations |
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| sulfury |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
| | meaty |
- The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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