1.0 2010-04-08 22:11:37 UTC 2015-07-20 23:14:05 UTC FDB015040 Pyrazinemethanethiol Liq. with roasted, meat-like flavour 2-(Mercaptomethyl)pyrazine 2-Mercaptomethyl-pyrazine 2-Mercaptomethylpyrazine 2-Pyrazinemethanethiol Pyrazine, 2-mercaptomethyl- Pyrazinylmethyl mercaptan C5H6N2S 126.18 126.025168892 pyrazin-2-ylmethanethiol pyrazinemethanethiol 59021-02-2 SCC1=CN=CC=N1 InChI=1S/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2 VQFGDOHENLRPFB-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 0.77 ALOGPS logs -1.71 ALOGPS solubility 2.43e+00 g/l ALOGPS logp -0.1 ChemAxon pka_strongest_acidic 9.75 ChemAxon pka_strongest_basic 0.66 ChemAxon iupac pyrazin-2-ylmethanethiol ChemAxon average_mass 126.18 ChemAxon mono_mass 126.025168892 ChemAxon smiles SCC1=CN=CC=N1 ChemAxon formula C5H6N2S ChemAxon inchi InChI=1S/C5H6N2S/c8-4-5-3-6-1-2-7-5/h1-3,8H,4H2 ChemAxon inchikey VQFGDOHENLRPFB-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 34.16 ChemAxon polarizability 12.65 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25278 Specdb::CMs 170132 Specdb::MsIr 7171 Specdb::MsIr 7172 Specdb::MsIr 7173 Specdb::MsMs 99585 Specdb::MsMs 99586 Specdb::MsMs 99587 Specdb::MsMs 164739 Specdb::MsMs 164740 Specdb::MsMs 164741 Specdb::MsMs 2282494 Specdb::MsMs 2282495 Specdb::MsMs 2282496 Specdb::MsMs 3086380 Specdb::MsMs 3086381 Specdb::MsMs 3086382 Specdb::NmrOneD 134198 Specdb::NmrOneD 134199 Specdb::NmrOneD 134200 Specdb::NmrOneD 134201 Specdb::NmrOneD 134202 Specdb::NmrOneD 134203 Specdb::NmrOneD 134204 Specdb::NmrOneD 134205 Specdb::NmrOneD 134206 Specdb::NmrOneD 134207 Specdb::NmrOneD 134208 Specdb::NmrOneD 134209 Specdb::NmrOneD 134210 Specdb::NmrOneD 134211 Specdb::NmrOneD 134212 Specdb::NmrOneD 134213 Specdb::NmrOneD 134214 Specdb::NmrOneD 134215 Specdb::NmrOneD 134216 Specdb::NmrOneD 134217 HMDB36186 #<Reference:0x000055ce3323aa58> meaty roasted in sugar syrup