1.0 2010-04-08 22:14:58 UTC 2025-11-19 02:30:08 UTC FDB020354 1-(Methylthio)propane 1-(methylthio)-propane is a member of the class of compounds known as dialkylthioethers. Dialkylthioethers are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. 1-(methylthio)-propane is an alliaceous, creamy, and green tasting compound found in kohlrabi, which makes 1-(methylthio)-propane a potential biomarker for the consumption of this food product. 1-(methylthio)-propane can be found primarily in feces and saliva. 1-(Methylsulfanyl)propane 1-(Methylthio)propane, 9CI 1-methylsulfanyl-propane 2-Thiapentane Methyl propyl sulfide Methyl propyl sulfide, 8CI Methyl propyl sulphide n-C3H7SCH3 Propane, 1-(methylthio)- Sulfide, methyl propyl C4H10S 90.187 90.05032101 1-(methylsulfanyl)propane N-propylmethylsulfide 3877-15-4 CCCSC InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3 ZOASGOXWEHUTKZ-UHFFFAOYSA-N belongs to the class of organic compounds known as dialkylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two alkyl groups. Dialkylthioethers Organic compounds Organosulfur compounds Thioethers Dialkylthioethers Aliphatic acyclic compounds Hydrocarbon derivatives Sulfenyl compounds Aliphatic acyclic compound Dialkylthioether Hydrocarbon derivative Sulfenyl compound liquid logp 1.96 ALOGPS logs -1.70 ALOGPS solubility 1.81e+00 g/l ALOGPS melting_point -113 oC logp 2 ChemAxon iupac 1-(methylsulfanyl)propane ChemAxon average_mass 90.187 ChemAxon mono_mass 90.05032101 ChemAxon smiles CCCSC ChemAxon formula C4H10S ChemAxon inchi InChI=1S/C4H10S/c1-3-4-5-2/h3-4H2,1-2H3 ChemAxon inchikey ZOASGOXWEHUTKZ-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 28.21 ChemAxon polarizability 11.28 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 34148 Specdb::CMs 164573 Specdb::MsIr 10311 Specdb::MsIr 10312 Specdb::NmrOneD 65012 Specdb::NmrOneD 65013 Specdb::NmrOneD 65014 Specdb::NmrOneD 65015 Specdb::NmrOneD 65016 Specdb::NmrOneD 65017 Specdb::NmrOneD 65018 Specdb::NmrOneD 65019 Specdb::NmrOneD 65020 Specdb::NmrOneD 65021 Specdb::NmrOneD 65022 Specdb::NmrOneD 65023 Specdb::NmrOneD 65024 Specdb::NmrOneD 65025 Specdb::NmrOneD 65026 Specdb::NmrOneD 65027 Specdb::NmrOneD 65028 Specdb::NmrOneD 65029 Specdb::NmrOneD 65030 Specdb::NmrOneD 65031 Specdb::MsMs 890620 Specdb::MsMs 890621 Specdb::MsMs 890622 Specdb::MsMs 932995 Specdb::MsMs 932996 Specdb::MsMs 932997 Specdb::MsMs 2803183 Specdb::MsMs 2803184 Specdb::MsMs 2803185 Specdb::MsMs 2879615 Specdb::MsMs 2879616 Specdb::MsMs 2879617 HMDB0061871 Garden onion Type 1 specific Allium cepa 4679 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.008 0.008 0.008 mg/100 g alliaceous creamy green leek