1.0 2010-04-08 22:10:24 UTC 2019-11-26 03:07:44 UTC FDB012855 Methyl phenyl sulfide Found in coffee. Flavouring agent for baked and meat products and seaonings. Food additive listed in the Food Additive Database (Jan. 2001) (1-Thiaethyl)benzene (methylsulfanyl)benzene (methylthio)-Benzene (methylthio)benzene (Methylthio)benzene, 9CI 1-Phenyl-1-thiaethane Anisole, thio- Benzene, (methylthio)- FEMA 3873 Methyl phenyl sulphide Methyl phenyl thioether Methyl phenylsulfide Methylmercaptobenzene Methylphenylsulfide Methylsulfanyl-benzene Methylsulphanyl-benzene Phenyl methyl sulfide Phenylthiomethane Sulfide, methyl phenyl Sulfide, methyl phenyl (6CI,8CI) Thio-anisole Thioanisol Thioanisole C7H8S 124.203 124.034670946 (methylsulfanyl)benzene thioanisole 100-68-5 CSC1=CC=CC=C1 InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 HNKJADCVZUBCPG-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 homomonocyclic compounds Alkylarylthioethers Benzene and substituted derivatives Hydrocarbon derivatives Sulfenyl compounds Thiophenol ethers Alkylarylthioether Aromatic homomonocyclic compound Aryl thioether Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Sulfenyl compound Thiophenol ether Liquid logp 2.86 ALOGPS logs -2.51 ALOGPS solubility 3.84e-01 g/l ALOGPS melting_point Fp -15° logp 2.6 ChemAxon iupac (methylsulfanyl)benzene ChemAxon average_mass 124.203 ChemAxon mono_mass 124.034670946 ChemAxon smiles CSC1=CC=CC=C1 ChemAxon formula C7H8S ChemAxon inchi InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3 ChemAxon inchikey HNKJADCVZUBCPG-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 38.82 ChemAxon polarizability 13.91 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 0 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15834 Specdb::CMs 29421 Specdb::CMs 101634 Specdb::CMs 135597 Specdb::CMs 143331 Specdb::MsMs 301069 Specdb::MsMs 301070 Specdb::MsMs 301071 Specdb::MsMs 343504 Specdb::MsMs 343505 Specdb::MsMs 343506 Specdb::MsMs 2724902 Specdb::MsMs 2724903 Specdb::MsMs 2724904 Specdb::MsMs 2957373 Specdb::MsMs 2957374 Specdb::MsMs 2957375 Specdb::MsIr 6613 Specdb::MsIr 6614 HMDB34448 #<Reference:0x000055ce31efd120> #<Reference:0x000055ce31efcf68> #<Reference:0x000055ce31efcdb0> #<Reference:0x000055ce31efcbf8> #<Reference:0x000055ce31efca40> #<Reference:0x000055ce31efc888> #<Reference:0x000055ce31efc6d0> #<Reference:0x000055ce31efc518> #<Reference:0x000055ce31efc360> #<Reference:0x000055ce31efc1a8> #<Reference:0x000055ce31f0ffa0> #<Reference:0x000055ce31f0fde8> #<Reference:0x000055ce31f0fc30> #<Reference:0x000055ce31f0fa78> #<Reference:0x000055ce31f0f8c0> #<Reference:0x000055ce31f0f708> #<Reference:0x000055ce31f0f550> #<Reference:0x000055ce31f0f398> #<Reference:0x000055ce31f0f1e0> #<Reference:0x000055ce31f0f028> #<Reference:0x000055ce31f0ee70> #<Reference:0x000055ce31f0ecb8> #<Reference:0x000055ce31f0eb00> #<Reference:0x000055ce31f0e948> #<Reference:0x000055ce31f0e790> #<Reference:0x000055ce31f0e5d8> #<Reference:0x000055ce31f0e420> #<Reference:0x000055ce31f0e268> 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 Herbs and Spices Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 solvent spicy toluene woody