1.0 2010-04-08 22:08:01 UTC 2019-11-26 03:02:27 UTC FDB008313 3-(Methylthio)-1-propene Constituent of garlic volatiles. Potential nutriceutical. 3-(Methylthio)-1-propene is found in many foods, some of which are onion-family vegetables, soft-necked garlic, ginger, and garden onion. 1-Propene, 3-(methylthio)- 3-(Methylsulfanyl)-1-propene 3-(Methylthio)propene 3-methylthio-1-propene Allyl methyl sulfide Allyl methyl sulfide, 8CI Allyl methyl sulphide CH3SCH2CH=CH2 Methyl 2-propenyl sulfide Methyl allyl sulfide Methyl propenyl sulfide Methylallyl sulphide Sulfide, allyl methyl C4H8S 88.171 88.034670946 3-(methylsulfanyl)prop-1-ene allyl methyl sulfide 10152-76-8 CSCC=C InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3 NVLPQIPTCCLBEU-UHFFFAOYSA-N belongs to the class of organic compounds known as allyl sulfur compounds. Allyl sulfur compounds are compounds containing an allylsulfur group, with the general structure H2C(=CH2)CS. Allyl sulfur compounds Organic compounds Organosulfur compounds Allyl sulfur compounds Aliphatic acyclic compounds Dialkylthioethers Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Allyl sulfur compound Dialkylthioether Hydrocarbon derivative Sulfenyl compound Thioether logp 1.46 ALOGPS logs -1.98 ALOGPS solubility 9.16e-01 g/l ALOGPS logp 1.85 ChemAxon iupac 3-(methylsulfanyl)prop-1-ene ChemAxon average_mass 88.171 ChemAxon mono_mass 88.034670946 ChemAxon smiles CSCC=C ChemAxon formula C4H8S ChemAxon inchi InChI=1S/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3 ChemAxon inchikey NVLPQIPTCCLBEU-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 28.1 ChemAxon polarizability 10.37 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22260 Specdb::CMs 29411 Specdb::CMs 100927 Specdb::CMs 130939 Specdb::CMs 138673 Specdb::MsMs 52434 Specdb::MsMs 52435 Specdb::MsMs 52436 Specdb::MsMs 111960 Specdb::MsMs 111961 Specdb::MsMs 111962 Specdb::MsMs 2706512 Specdb::MsMs 2706513 Specdb::MsMs 2706514 Specdb::MsMs 2999731 Specdb::MsMs 2999732 Specdb::MsMs 2999733 Specdb::MsIr 4805 Specdb::MsIr 4806 Specdb::NmrOneD 165189 Specdb::NmrOneD 165190 Specdb::NmrOneD 165191 Specdb::NmrOneD 165192 Specdb::NmrOneD 165193 Specdb::NmrOneD 165194 Specdb::NmrOneD 165195 Specdb::NmrOneD 165196 Specdb::NmrOneD 165197 Specdb::NmrOneD 165198 Specdb::NmrOneD 165199 Specdb::NmrOneD 165200 Specdb::NmrOneD 165201 Specdb::NmrOneD 165202 Specdb::NmrOneD 165203 Specdb::NmrOneD 165204 Specdb::NmrOneD 165205 Specdb::NmrOneD 165206 Specdb::NmrOneD 165207 Specdb::NmrOneD 165208 HMDB31653 #<Reference:0x000055ce331ede60> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Garlic Type 1 specific Allium sativum 4682 Ginger Type 1 specific Zingiber officinale 94328 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Soft-necked garlic Type 1 specific Allium sativum L. var. sativum 4682 Welsh onion Type 1 specific Allium fistulosum 35875 alliaceous garlic onion Acantholytic 15 Pemphigenic 1203