1.0 2010-04-08 22:12:16 UTC 2015-07-20 23:26:24 UTC FDB016165 Pyrazineethanethiol Flavouring ingredient 2-(2-Mercaptoethyl)pyrazine 2-pyrazin-2-ylethanethiol 2-Pyrazineethanethiol 2-Pyrazinyl-ethanethiol 2-Pyrazinylethanethiol 2-Pyrazinylethylmercaptan Ethanethiol, 2-pyrazinyl- FEMA 3230 Mercaptoethylpyrazine Pyrazine ethanethiol Pyrazinyl ethanethiol C6H8N2S 140.206 140.040818956 2-(pyrazin-2-yl)ethane-1-thiol pyrazineethanethiol 35250-53-4 SCCC1=CN=CC=N1 InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2 QKVWBAMZPUHCMO-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. Pyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Alkylthiols Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Alkylthiol Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Pyrazine logp 1.03 ALOGPS logs -2.06 ALOGPS solubility 1.22e+00 g/l ALOGPS logp 0.34 ChemAxon pka_strongest_acidic 10.15 ChemAxon pka_strongest_basic 1.14 ChemAxon iupac 2-(pyrazin-2-yl)ethane-1-thiol ChemAxon average_mass 140.206 ChemAxon mono_mass 140.040818956 ChemAxon smiles SCCC1=CN=CC=N1 ChemAxon formula C6H8N2S ChemAxon inchi InChI=1S/C6H8N2S/c9-4-1-6-5-7-2-3-8-6/h2-3,5,9H,1,4H2 ChemAxon inchikey QKVWBAMZPUHCMO-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 38.77 ChemAxon polarizability 14.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7434 Specdb::MsIr 7435 Specdb::MsIr 7436 Specdb::MsMs 102636 Specdb::MsMs 102637 Specdb::MsMs 102638 Specdb::MsMs 168498 Specdb::MsMs 168499 Specdb::MsMs 168500 Specdb::MsMs 2418388 Specdb::MsMs 2418389 Specdb::MsMs 2418390 Specdb::MsMs 2543510 Specdb::MsMs 2543511 Specdb::MsMs 2543512 Specdb::CMs 21835 Specdb::CMs 157560 HMDB37169 #<Reference:0x000055ac411b97a0> cabbage meaty sulfurous