1.0 2010-04-08 22:14:21 UTC 2018-05-29 01:41:58 UTC FDB019442 4,5-Dihydro-2-methyl-3-thiophenethiol Constituent of meat odour model systems. Possesses a roasted meat aroma 3-Mercapto-2-methyl-4,5-dihydrothiophene C5H8S2 132.247 132.006741636 2-methyl-4,5-dihydrothiophene-3-thiol 2-methyl-4,5-dihydrothiophene-3-thiol 26486-23-7 CC1=C(S)CCS1 InChI=1S/C5H8S2/c1-4-5(6)2-3-7-4/h6H,2-3H2,1H3 SHTOTWJJNXTUDB-UHFFFAOYSA-N belongs to the class of organic compounds known as dihydrothiophenes. Dihydrothiophenes are compounds containing a dihydrothiophene moiety, which is a thiophene derivative with only one double bond. Dihydrothiophenes Organic compounds Organoheterocyclic compounds Dihydrothiophenes Aliphatic heteromonocyclic compounds Alkylthiols Hydrocarbon derivatives Thioenol ethers Thioenols 2,3-dihydrothiophene Aliphatic heteromonocyclic compound Alkylthiol Hydrocarbon derivative Organosulfur compound Thioenol Thioenolether logp 1.87 ALOGPS logs -1.63 ALOGPS solubility 3.12e+00 g/l ALOGPS logp 0.91 ChemAxon pka_strongest_acidic 8.14 ChemAxon iupac 2-methyl-4,5-dihydrothiophene-3-thiol ChemAxon average_mass 132.247 ChemAxon mono_mass 132.006741636 ChemAxon smiles CC1=C(S)CCS1 ChemAxon formula C5H8S2 ChemAxon inchi InChI=1S/C5H8S2/c1-4-5(6)2-3-7-4/h6H,2-3H2,1H3 ChemAxon inchikey SHTOTWJJNXTUDB-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 40.67 ChemAxon polarizability 14.2 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8326 Specdb::MsIr 8327 Specdb::MsIr 8328 Specdb::CMs 16799 Specdb::CMs 161956 Specdb::MsMs 107919 Specdb::MsMs 107920 Specdb::MsMs 107921 Specdb::MsMs 175017 Specdb::MsMs 175018 Specdb::MsMs 175019 Specdb::MsMs 2722857 Specdb::MsMs 2722858 Specdb::MsMs 2722859 Specdb::MsMs 2955300 Specdb::MsMs 2955301 Specdb::MsMs 2955302 Specdb::NmrOneD 35962 Specdb::NmrOneD 35963 Specdb::NmrOneD 35964 Specdb::NmrOneD 35965 Specdb::NmrOneD 35966 Specdb::NmrOneD 35967 Specdb::NmrOneD 35968 Specdb::NmrOneD 35969 Specdb::NmrOneD 35970 Specdb::NmrOneD 35971 Specdb::NmrOneD 35972 Specdb::NmrOneD 35973 Specdb::NmrOneD 35974 Specdb::NmrOneD 35975 Specdb::NmrOneD 35976 Specdb::NmrOneD 35977 Specdb::NmrOneD 35978 Specdb::NmrOneD 35979 Specdb::NmrOneD 35980 Specdb::NmrOneD 35981 HMDB39792 #<Reference:0x000055ce321631f8>