1.0 2010-04-08 22:14:33 UTC 2015-07-21 06:38:19 UTC FDB019747 2-Methyl-5-(methylthio)pyrazine Flavouring ingredient with roasted almond/hazelnut flavour. Component of FEMA 3208 together with regioisomers 2-Methyl-5-(methylthio)pyrazine 2-Methyl-6-(methylsulfanyl)pyrazine 2-Methylthio-6-methylpyrazine CTOP Ctop-NH2 Ctopa Cys(2)-tyr(3)-orn(5)-pen(7)-amide Phe-cycl(cys-tyr-trp-orn-thr-pen)thr-NH2 C6H8N2S 140.206 140.040818956 2-methyl-5-(methylsulfanyl)pyrazine 2-methyl-5-(methylsulfanyl)pyrazine 2884-13-1 CSC1=NC=C(C)N=C1 InChI=1S/C6H8N2S/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3 DNBQBSWEJGAAIY-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 1.55 ALOGPS logs -0.88 ALOGPS solubility 1.86e+01 g/l ALOGPS logp 0.89 ChemAxon pka_strongest_basic 0.82 ChemAxon iupac 2-methyl-5-(methylsulfanyl)pyrazine ChemAxon average_mass 140.206 ChemAxon mono_mass 140.040818956 ChemAxon smiles CSC1=NC=C(C)N=C1 ChemAxon formula C6H8N2S ChemAxon inchi InChI=1S/C6H8N2S/c1-5-3-8-6(9-2)4-7-5/h3-4H,1-2H3 ChemAxon inchikey DNBQBSWEJGAAIY-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 39.41 ChemAxon polarizability 14.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8574 Specdb::MsIr 8575 Specdb::CMs 26563 Specdb::CMs 131867 Specdb::CMs 139601 Specdb::NmrOneD 38282 Specdb::NmrOneD 38283 Specdb::NmrOneD 38284 Specdb::NmrOneD 38285 Specdb::NmrOneD 38286 Specdb::NmrOneD 38287 Specdb::NmrOneD 38288 Specdb::NmrOneD 38289 Specdb::NmrOneD 38290 Specdb::NmrOneD 38291 Specdb::NmrOneD 38292 Specdb::NmrOneD 38293 Specdb::NmrOneD 38294 Specdb::NmrOneD 38295 Specdb::NmrOneD 38296 Specdb::NmrOneD 38297 Specdb::NmrOneD 38298 Specdb::NmrOneD 38299 Specdb::NmrOneD 38300 Specdb::NmrOneD 38301 Specdb::MsMs 44226 Specdb::MsMs 44227 Specdb::MsMs 44228 Specdb::MsMs 121107 Specdb::MsMs 121108 Specdb::MsMs 121109 Specdb::MsMs 2767817 Specdb::MsMs 2767818 Specdb::MsMs 2767819 Specdb::MsMs 2911178 Specdb::MsMs 2911179 Specdb::MsMs 2911180 HMDB40060 #<Reference:0x000055ce3354dc90>