1.0 2010-04-08 22:09:52 UTC 2015-07-20 22:44:17 UTC FDB011878 Benzenethiol Flavouring agent Thiophenol is a chemical compound with the formula C6H5SH, and sometimes abbreviated as PhSH. The foul-smelling liquid is the principal aromatic thiol. The chemical structures of thiophenols are analogous to phenols except the oxygen atom in the hydroxyl group (-OH) bonded to the aromatic ring is replaced by a sulfur atom. The prefix thio- implies a sulfur-containing compound and when used before a root word name for a compound which would normally contain an oxygen atom, thio- commonly means that the oxygen atom is replaced by a sulfur atom.; Thiophenols also describes a class of compounds formally derived from thiophenol itself. All have a sulfhydryl group (-SH) covalently bonded to an aromatic ring. The organosulfur ligand in medicine merthiolate is a thiophenol. Benzene, mercapto- FEMA 3616 Mercapto-benzene Mercaptobenzene Phenol, thio- Phenyl mercaptan Phenyl mercaptan [UN2337] [Poison] Phenylmercaptan Phenylthiol Sodium benzenethiolate Thio-phenol Thiofenol Thiophenate Thiophenol C6H6S 110.177 110.019020882 benzenethiol thiophenol 108-98-5 SC1=CC=CC=C1 InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H RMVRSNDYEFQCLF-UHFFFAOYSA-N belongs to the class of organic compounds known as thiophenols. Thiophenols are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom. Thiophenols Organic compounds Benzenoids Thiophenols Aromatic homomonocyclic compounds Benzene and substituted derivatives Hydrocarbon derivatives Thiols Aromatic homomonocyclic compound Arylthiol Hydrocarbon derivative Monocyclic benzene moiety Organosulfur compound Thiophenol aryl thiol Liquid logp 2.26 ALOGPS logs -1.97 ALOGPS solubility 1.17e+00 g/l ALOGPS melting_point Fp -14.8° logp 2.07 ChemAxon pka_strongest_acidic 6.64 ChemAxon iupac benzenethiol ChemAxon average_mass 110.177 ChemAxon mono_mass 110.019020882 ChemAxon smiles SC1=CC=CC=C1 ChemAxon formula C6H6S ChemAxon inchi InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H ChemAxon inchikey RMVRSNDYEFQCLF-UHFFFAOYSA-N ChemAxon polar_surface_area 0 ChemAxon refractivity 34.07 ChemAxon polarizability 11.93 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 0 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11083 Specdb::CMs 28443 Specdb::CMs 29440 Specdb::CMs 101387 Specdb::CMs 101388 Specdb::CMs 137048 Specdb::CMs 144782 Specdb::MsIr 6234 Specdb::MsIr 6235 Specdb::MsIr 6236 Specdb::NmrOneD 121978 Specdb::NmrOneD 121979 Specdb::NmrOneD 121980 Specdb::NmrOneD 121981 Specdb::NmrOneD 121982 Specdb::NmrOneD 121983 Specdb::NmrOneD 121984 Specdb::NmrOneD 121985 Specdb::NmrOneD 121986 Specdb::NmrOneD 121987 Specdb::NmrOneD 121988 Specdb::NmrOneD 121989 Specdb::NmrOneD 121990 Specdb::NmrOneD 121991 Specdb::NmrOneD 121992 Specdb::NmrOneD 121993 Specdb::NmrOneD 121994 Specdb::NmrOneD 121995 Specdb::NmrOneD 121996 Specdb::NmrOneD 121997 Specdb::MsMs 62670 Specdb::MsMs 62671 Specdb::MsMs 62672 Specdb::MsMs 119445 Specdb::MsMs 119446 Specdb::MsMs 119447 Specdb::MsMs 2703827 Specdb::MsMs 2703828 Specdb::MsMs 2703829 Specdb::MsMs 3001573 Specdb::MsMs 3001574 Specdb::MsMs 3001575 HMDB33746 48498 BT6 #<Reference:0x000055ce3061d790> #<Reference:0x000055ce3061d5d8> #<Reference:0x000055ce3061d3d0> #<Reference:0x000055ce3061d218> #<Reference:0x000055ce3061d060> #<Reference:0x000055ce3061cea8> #<Reference:0x000055ce3061ccf0> #<Reference:0x000055ce3061cb38> #<Reference:0x000055ce3061c980> #<Reference:0x000055ce3061c7c8> garlic penetrating repulsive