1.0 2010-04-08 22:09:30 UTC 2025-11-18 23:25:05 UTC FDB011171 2-(Methylthio)benzothiazole 2-(methylthio)benzothiazole, also known as mtbt, is a member of the class of compounds known as benzothiazoles. Benzothiazoles are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 2-(methylthio)benzothiazole is practically insoluble (in water) and a moderately basic compound (based on its pKa). 2-(methylthio)benzothiazole can be found in guava, which makes 2-(methylthio)benzothiazole a potential biomarker for the consumption of this food product. 2-(Methylmercapto)benzothiazole 2-(Methylsulfanyl)-1,3-benzothiazole 2-(Methylthio)-1,3-benzothiazole 2-(Methylthio)benzothiazole 2-(Methylthio)benzothiozole 2-Methyl mercaptobenzothiazole 2-Methylmercaptobenzothiazole Benzothiazole, 2-(methylthio)- Benzothiazole, mercapto-2-methyl- Benzothiazolethiol, 2-methyl- MTBT C8H7NS2 181.278 181.001990609 2-(methylsulfanyl)-1,3-benzothiazole 2-(methylthio)benzothiazole 615-22-5 CSC1=NC2=CC=CC=C2S1 InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 UTBVIMLZIRIFFR-UHFFFAOYSA-N belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). Benzothiazoles Organic compounds Organoheterocyclic compounds Benzothiazoles Aromatic heteropolycyclic compounds Alkylarylthioethers Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Sulfenyl compounds Thiazoles 1,3-benzothiazole Alkylarylthioether Aromatic heteropolycyclic compound Aryl thioether Azacycle Azole Benzenoid Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Organosulfur compound Sulfenyl compound Thiazole Thioether benzothiazoles methyl sulfide logp 3.16 ALOGPS logs -2.97 ALOGPS solubility 1.95e-01 g/l ALOGPS melting_point Mp 52° logp 3.43 ChemAxon pka_strongest_basic 1.13 ChemAxon iupac 2-(methylsulfanyl)-1,3-benzothiazole ChemAxon average_mass 181.278 ChemAxon mono_mass 181.001990609 ChemAxon smiles CSC1=NC2=CC=CC=C2S1 ChemAxon formula C8H7NS2 ChemAxon inchi InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3 ChemAxon inchikey UTBVIMLZIRIFFR-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 49.36 ChemAxon polarizability 18.96 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 66750 Specdb::MsMs 66751 Specdb::MsMs 66752 Specdb::MsMs 124377 Specdb::MsMs 124378 Specdb::MsMs 124379 Specdb::MsMs 3605197 Specdb::MsMs 3605198 Specdb::MsMs 3605199 Specdb::MsMs 3606167 Specdb::MsMs 3606168 Specdb::MsMs 3606169 1217 Guava Type 1 specific Psidium guajava 120290