Mrv0541 05061308552D          

 16 17  0  0  0  0            999 V2000
   -4.4427    0.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9801    2.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6037    2.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1411    0.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4107    2.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9481    0.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2712    1.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8085    1.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    1.4593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0549    1.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8232    1.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3606    0.7693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8030    1.0468    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596    1.4593    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0886    1.4593    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3741    1.0468    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  2  0  0  0  0
  6  4  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 10  8  2  0  0  0  0
 11  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 16 15  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB015022

> <DATABASE_NAME>
foodb

> <SMILES>
CC1=C(SSSSC2=C(C)OC=C2)C=CO1

> <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

> <INCHI_KEY>
WCQMHJWTXQMUQE-UHFFFAOYSA-N

> <FORMULA>
C10H10O2S4

> <MOLECULAR_WEIGHT>
290.445

> <EXACT_MASS>
289.956362324

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
27.978362083901807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-methyl-3-{[(2-methylfuran-3-yl)disulfanyl]disulfanyl}furan

> <ALOGPS_LOGP>
3.55

> <JCHEM_LOGP>
4.442155724666666

> <ALOGPS_LOGS>
-3.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.745806827887257

> <JCHEM_POLAR_SURFACE_AREA>
26.28

> <JCHEM_REFRACTIVITY>
69.298

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.01e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-methyl-3-{[(2-methylfuran-3-yl)disulfanyl]disulfanyl}furan

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB015022

> <GENERIC_NAME>
Bis(2-methyl-3-furanyl)tetrasulfide

$$$$