1.0 2010-04-08 22:08:00 UTC 2020-02-24 19:10:52 UTC FDB008281 2-Propanethiol Food additive listed on the EAFUS Food Additive Database (Jan. 2001). 2-Propanethiol is found in potato. 1-Methylethanethiol 2-Mercaptopropane 2-Propylmercaptan 2-Propylthiol iso-C3H7SH Isopropanethiol Isopropyl mercaptan Isopropylmercaptan Isopropylthiol Propane-2-thiol Propanethiol-(2) C3H8S 76.161 76.034670946 propane-2-thiol 2-propanethiol 75-33-2 CC(C)S InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3 KJRCEJOSASVSRA-UHFFFAOYSA-N belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain. Alkylthiols Organic compounds Organosulfur compounds Thiols Alkylthiols Aliphatic acyclic compounds Hydrocarbon derivatives Aliphatic acyclic compound Alkylthiol Hydrocarbon derivative alkanethiol logp 1.69 ALOGPS logs -1.22 ALOGPS solubility 4.54e+00 g/l ALOGPS melting_point Mp -130.7° logp 1.4 ChemAxon pka_strongest_acidic 10.12 ChemAxon iupac propane-2-thiol ChemAxon average_mass 76.161 ChemAxon mono_mass 76.034670946 ChemAxon smiles CC(C)S ChemAxon formula C3H8S ChemAxon inchi InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3 ChemAxon inchikey KJRCEJOSASVSRA-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 23.51 ChemAxon polarizability 9.08 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1647 Specdb::CMs 5821 Specdb::CMs 131404 Specdb::CMs 139138 Specdb::NmrOneD 3973 Specdb::NmrOneD 4256 Specdb::NmrOneD 165049 Specdb::NmrOneD 165050 Specdb::NmrOneD 165051 Specdb::NmrOneD 165052 Specdb::NmrOneD 165053 Specdb::NmrOneD 165054 Specdb::NmrOneD 165055 Specdb::NmrOneD 165056 Specdb::NmrOneD 165057 Specdb::NmrOneD 165058 Specdb::NmrOneD 165059 Specdb::NmrOneD 165060 Specdb::NmrOneD 165061 Specdb::NmrOneD 165062 Specdb::NmrOneD 165063 Specdb::NmrOneD 165064 Specdb::NmrOneD 165065 Specdb::NmrOneD 165066 Specdb::NmrOneD 165067 Specdb::NmrOneD 165068 Specdb::MsIr 4767 Specdb::MsIr 4768 Specdb::MsIr 4769 Specdb::MsMs 13172 Specdb::MsMs 13173 Specdb::MsMs 13174 Specdb::MsMs 19844 Specdb::MsMs 19845 Specdb::MsMs 19846 Specdb::MsMs 2746097 Specdb::MsMs 2746098 Specdb::MsMs 2746099 Specdb::MsMs 2936644 Specdb::MsMs 2936645 Specdb::MsMs 2936646 HMDB31634 8474 #<Reference:0x000055ce30782ce8> Garden onion Type 1 specific Allium cepa 4679 Potato Type 1 specific Solanum tuberosum 4113 gassy meaty onion ripe strong sulfurous