1.0 2010-04-08 22:14:22 UTC 2019-11-26 03:17:29 UTC FDB019450 5-Methyl-2-furanmethanethiol Cysteine-derived Maillard product. Constituent of coffee, roasted sesame and yeast-extract volatiles. 5-Methyl-2-furanmethanethiol is found in mushrooms, cereals and cereal products, and coffee and coffee products. (5-Methyl-2-furyl)methanethiol 2-(Mercaptomethyl)-5-methylfuran 2-furanmethanethiol, 5-methyl- 2-Methyl-5-thiomethylfuran 5-Methyl-2-furfurylmercaptan 5-Methyl-2-furfurylthiol 5-methylfurfuryl mercaptan C6H8OS 128.192 128.029585568 (5-methylfuran-2-yl)methanethiol (5-methylfuran-2-yl)methanethiol 59303-05-8 CC1=CC=C(CS)O1 InChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3 MGLMZOFGBDYNMH-UHFFFAOYSA-N belongs to the class of organic compounds known as heteroaromatic compounds. Heteroaromatic compounds are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom. Heteroaromatic compounds Organic compounds Organoheterocyclic compounds Heteroaromatic compounds Aromatic heteromonocyclic compounds Alkylthiols Furans Hydrocarbon derivatives Organooxygen compounds Oxacyclic compounds Alkylthiol Aromatic heteromonocyclic compound Furan Heteroaromatic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Organosulfur compound Oxacycle logp 2.07 ALOGPS logs -2.88 ALOGPS solubility 1.67e-01 g/l ALOGPS logp 1.56 ChemAxon pka_strongest_acidic 9.71 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (5-methylfuran-2-yl)methanethiol ChemAxon average_mass 128.192 ChemAxon mono_mass 128.029585568 ChemAxon smiles CC1=CC=C(CS)O1 ChemAxon formula C6H8OS ChemAxon inchi InChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3 ChemAxon inchikey MGLMZOFGBDYNMH-UHFFFAOYSA-N ChemAxon polar_surface_area 13.14 ChemAxon refractivity 36.6 ChemAxon polarizability 14.06 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3349 Specdb::CMs 155853 Specdb::MsIr 8342 Specdb::MsIr 8343 Specdb::MsMs 73257 Specdb::MsMs 73258 Specdb::MsMs 73259 Specdb::MsMs 132372 Specdb::MsMs 132373 Specdb::MsMs 132374 Specdb::MsMs 2386766 Specdb::MsMs 2386767 Specdb::MsMs 2386768 Specdb::MsMs 2579289 Specdb::MsMs 2579290 Specdb::MsMs 2579291 HMDB39800 #<Reference:0x000055ac408becb8> Arabica coffee Type 1 specific Coffea arabica 13443 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Robusta coffee Type 1 specific Coffea canephora 49390 coffee roast roasted sulfur sulfurous