1.0
2010-04-08 22:12:31 UTC
2015-07-20 23:30:56 UTC
FDB016568
S-2-Propenyl propanethioate
Flavouring ingredient
Allyl thiopropionate
FEMA 3329
Propanethioic acid, S-2-propenyl ester
S-2-Propenyl propanethioate
S-allyl propanethioate
S-Allyl thiopropionate
Thioacrylic propionate
C6H10OS
130.208
130.045235632
1-(prop-2-en-1-ylsulfanyl)propan-1-one
1-(prop-2-en-1-ylsulfanyl)propan-1-one
41820-22-8
CCC(=O)SCC=C
InChI=1S/C6H10OS/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
GKRISGLFPMFKSX-UHFFFAOYSA-N
belongs to the class of organic compounds known as thioesters. These are organic compounds containing an ester of thiocarboxylic acid, with the general structure RC(=S)XR' (R=H, alkyl, aryl; R'=alkyl, aryl; X=O,S).
Thioesters
Organic compounds
Organic acids and derivatives
Thiocarboxylic acids and derivatives
Thioesters
Aliphatic acyclic compounds
Allyl sulfur compounds
Carbonyl compounds
Carbothioic S-esters
Carboxylic acids and derivatives
Hydrocarbon derivatives
Organic oxides
Sulfenyl compounds
Aliphatic acyclic compound
Allyl sulfur compound
Carbonyl group
Carbothioic s-ester
Carboxylic acid derivative
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Organosulfur compound
Sulfenyl compound
Thiocarboxylic acid ester
logp
1.72
logs
-1.94
solubility
1.49e+00 g/l
logp
2.01
pka_strongest_basic
-6.1
iupac
1-(prop-2-en-1-ylsulfanyl)propan-1-one
average_mass
130.208
mono_mass
130.045235632
smiles
CCC(=O)SCC=C
formula
C6H10OS
inchi
InChI=1S/C6H10OS/c1-3-5-8-6(7)4-2/h3H,1,4-5H2,2H3
inchikey
GKRISGLFPMFKSX-UHFFFAOYSA-N
polar_surface_area
17.07
refractivity
37.55
polarizability
14.42
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
7538
Specdb::MsIr
7539
Specdb::NmrOneD
141370
Specdb::NmrOneD
141371
Specdb::NmrOneD
141372
Specdb::NmrOneD
141373
Specdb::NmrOneD
141374
Specdb::NmrOneD
141375
Specdb::NmrOneD
141376
Specdb::NmrOneD
141377
Specdb::NmrOneD
141378
Specdb::NmrOneD
141379
Specdb::NmrOneD
141380
Specdb::NmrOneD
141381
Specdb::NmrOneD
141382
Specdb::NmrOneD
141383
Specdb::NmrOneD
141384
Specdb::NmrOneD
141385
Specdb::NmrOneD
141386
Specdb::NmrOneD
141387
Specdb::NmrOneD
141388
Specdb::NmrOneD
141389
Specdb::CMs
14032
Specdb::CMs
132803
Specdb::CMs
140537
Specdb::MsMs
47955
Specdb::MsMs
47956
Specdb::MsMs
47957
Specdb::MsMs
156651
Specdb::MsMs
156652
Specdb::MsMs
156653
Specdb::MsMs
3035381
Specdb::MsMs
3035382
Specdb::MsMs
3035383
Specdb::MsMs
3104966
Specdb::MsMs
3104967
Specdb::MsMs
3104968
HMDB37493
#<Reference:0x000055567418bd50>
fresh
garlic
gassy
green
onion
sweet