1.0 2010-04-08 22:07:34 UTC 2025-11-18 23:04:38 UTC FDB007338 2-Methylthio-3-isopropylpyrazine 2-methylthio-3-isopropylpyrazine is a member of the class of compounds known as aryl thioethers. Aryl thioethers are organosulfur compounds containing a thioether group that is substituted by an aryl group. 2-methylthio-3-isopropylpyrazine is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-methylthio-3-isopropylpyrazine can be found in fenugreek, which makes 2-methylthio-3-isopropylpyrazine a potential biomarker for the consumption of this food product. C8H12N2S 168.26 168.072119568 2-(methylsulfanyl)-3-(propan-2-yl)pyrazine 2-isopropyl-3-(methylsulfanyl)pyrazine CSC1=C(N=CC=N1)C(C)C InChI=1S/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 MUSIVZZZFRJWGI-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 2.45 ALOGPS logs -1.53 ALOGPS solubility 4.97e+00 g/l ALOGPS logp 2.14 ChemAxon pka_strongest_basic 0.65 ChemAxon iupac 2-(methylsulfanyl)-3-(propan-2-yl)pyrazine ChemAxon average_mass 168.26 ChemAxon mono_mass 168.072119568 ChemAxon smiles CSC1=C(N=CC=N1)C(C)C ChemAxon formula C8H12N2S ChemAxon inchi InChI=1S/C8H12N2S/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3 ChemAxon inchikey MUSIVZZZFRJWGI-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 48.61 ChemAxon polarizability 18.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73122 Specdb::MsMs 73123 Specdb::MsMs 73124 Specdb::MsMs 132213 Specdb::MsMs 132214 Specdb::MsMs 132215 Specdb::MsMs 3603932 Specdb::MsMs 3603933 Specdb::MsMs 3603934 Specdb::MsMs 3603935 Specdb::MsMs 3603936 Specdb::MsMs 3603937 Fenugreek Type 1 specific Trigonella foenum-graecum 78534