1.0 2010-04-08 22:14:21 UTC 2015-07-21 06:35:52 UTC FDB019441 2,3-Dihydro-5-methyl-3-thiophenethiol Component of roast meat aroma models. Possesses a rubbery, meaty aroma 4-Mercapto-2-methyl-4,5-dihydrothiophene C5H8S2 132.247 132.006741636 5-methyl-2,3-dihydrothiophene-3-thiol 5-methyl-2,3-dihydrothiophene-3-thiol 56079-02-8 CC1=CC(S)CS1 InChI=1S/C5H8S2/c1-4-2-5(6)3-7-4/h2,5-6H,3H2,1H3 XMTPGJJWJZMORB-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 2,3-dihydrothiophene Aliphatic heteromonocyclic compound Alkylthiol Hydrocarbon derivative Organosulfur compound Thioenolether logp 1.42 ALOGPS logs -1.90 ALOGPS solubility 1.65e+00 g/l ALOGPS logp 1.29 ChemAxon pka_strongest_acidic 9.77 ChemAxon pka_strongest_basic -9.8 ChemAxon iupac 5-methyl-2,3-dihydrothiophene-3-thiol ChemAxon average_mass 132.247 ChemAxon mono_mass 132.006741636 ChemAxon smiles CC1=CC(S)CS1 ChemAxon formula C5H8S2 ChemAxon inchi InChI=1S/C5H8S2/c1-4-2-5(6)3-7-4/h2,5-6H,3H2,1H3 ChemAxon inchikey XMTPGJJWJZMORB-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 40.06 ChemAxon polarizability 14.15 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16943 Specdb::CMs 137446 Specdb::CMs 145180 Specdb::MsIr 8323 Specdb::MsIr 8324 Specdb::MsIr 8325 Specdb::NmrOneD 35942 Specdb::NmrOneD 35943 Specdb::NmrOneD 35944 Specdb::NmrOneD 35945 Specdb::NmrOneD 35946 Specdb::NmrOneD 35947 Specdb::NmrOneD 35948 Specdb::NmrOneD 35949 Specdb::NmrOneD 35950 Specdb::NmrOneD 35951 Specdb::NmrOneD 35952 Specdb::NmrOneD 35953 Specdb::NmrOneD 35954 Specdb::NmrOneD 35955 Specdb::NmrOneD 35956 Specdb::NmrOneD 35957 Specdb::NmrOneD 35958 Specdb::NmrOneD 35959 Specdb::NmrOneD 35960 Specdb::NmrOneD 35961 Specdb::MsMs 59280 Specdb::MsMs 59281 Specdb::MsMs 59282 Specdb::MsMs 115377 Specdb::MsMs 115378 Specdb::MsMs 115379 Specdb::MsMs 2303226 Specdb::MsMs 2303227 Specdb::MsMs 2303228 Specdb::MsMs 3065501 Specdb::MsMs 3065502 Specdb::MsMs 3065503 HMDB39791 #<Reference:0x000055ce30553788>