1.0 2010-04-08 22:14:33 UTC 2015-07-21 06:38:19 UTC FDB019748 2-Methyl-6-(methylthio)pyrazine Flavouring ingredient with roasted almond-hazelnut aroma. Component of FEMA 3208, together with regioisomers 2-Methyl-6-(methylthio)pyrazine C6H8N2S 140.206 140.040818956 2-methyl-6-(methylsulfanyl)pyrazine 2-methyl-6-(methylsulfanyl)pyrazine 2884-14-2 CSC1=CN=CC(C)=N1 InChI=1S/C6H8N2S/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3 UWZQTYQYHJLIRS-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. Aryl thioethers Organic compounds Organosulfur compounds Thioethers Aryl thioethers Aromatic heteromonocyclic compounds Alkylarylthioethers Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrazines Sulfenyl compounds Alkylarylthioether Aromatic heteromonocyclic compound Aryl thioether Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrazine Sulfenyl compound logp 1.56 ALOGPS logs -0.87 ALOGPS solubility 1.88e+01 g/l ALOGPS logp 0.89 ChemAxon pka_strongest_basic 0.38 ChemAxon iupac 2-methyl-6-(methylsulfanyl)pyrazine ChemAxon average_mass 140.206 ChemAxon mono_mass 140.040818956 ChemAxon smiles CSC1=CN=CC(C)=N1 ChemAxon formula C6H8N2S ChemAxon inchi InChI=1S/C6H8N2S/c1-5-3-7-4-6(8-5)9-2/h3-4H,1-2H3 ChemAxon inchikey UWZQTYQYHJLIRS-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 39.41 ChemAxon polarizability 14.81 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11824 Specdb::CMs 149854 Specdb::NmrOneD 38302 Specdb::NmrOneD 38303 Specdb::NmrOneD 38304 Specdb::NmrOneD 38305 Specdb::NmrOneD 38306 Specdb::NmrOneD 38307 Specdb::NmrOneD 38308 Specdb::NmrOneD 38309 Specdb::NmrOneD 38310 Specdb::NmrOneD 38311 Specdb::NmrOneD 38312 Specdb::NmrOneD 38313 Specdb::NmrOneD 38314 Specdb::NmrOneD 38315 Specdb::NmrOneD 38316 Specdb::NmrOneD 38317 Specdb::NmrOneD 38318 Specdb::NmrOneD 38319 Specdb::NmrOneD 38320 Specdb::NmrOneD 38321 Specdb::MsIr 8576 Specdb::MsIr 8577 Specdb::MsMs 292111 Specdb::MsMs 292112 Specdb::MsMs 292113 Specdb::MsMs 332212 Specdb::MsMs 332213 Specdb::MsMs 332214 Specdb::MsMs 2300745 Specdb::MsMs 2300746 Specdb::MsMs 2300747 Specdb::MsMs 3064709 Specdb::MsMs 3064710 Specdb::MsMs 3064711 HMDB40061 #<Reference:0x000055ce330f9dd8>