1.0 2010-04-08 22:14:58 UTC 2019-11-26 03:18:49 UTC FDB020360 4-Thiocyanatophenol Constituent of cucumber root. 4-Thiocyanatophenol is found in fruits. 4-(Hydroxyphenyl) thiocyanate, 9CI 4-Hydroxyphenyl thiocyanate P-Thiocyanato-P-thiocyanatophenol P-Thiocyanato-phenol P-thiocyanatophenol P-thiocyanatophenol, p-thiocyanato- Phenol, p-thiocyanato- Thiocyanic acid, 4-hydroxyphenyl ester Thiocyanic acid, p-hydroxyphenyl ester C7H5NOS 151.186 151.009184477 [(4-hydroxyphenyl)sulfanyl]formonitrile [(4-hydroxyphenyl)sulfanyl]formonitrile 3774-52-5 OC1=CC=C(SC#N)C=C1 InChI=1S/C7H5NOS/c8-5-10-7-3-1-6(9)2-4-7/h1-4,9H FMRRFPFZGPDDLZ-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 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Sulfenyl compounds Thiocyanates 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Aryl thioether Benzenoid Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Sulfenyl compound Thiocyanate logp 2.05 ALOGPS logs -1.47 ALOGPS solubility 5.15e+00 g/l ALOGPS melting_point Mp 62-63° logp 1.97 ChemAxon pka_strongest_acidic 8.5 ChemAxon pka_strongest_basic -6.4 ChemAxon iupac [(4-hydroxyphenyl)sulfanyl]formonitrile ChemAxon average_mass 151.186 ChemAxon mono_mass 151.009184477 ChemAxon smiles OC1=CC=C(SC#N)C=C1 ChemAxon formula C7H5NOS ChemAxon inchi InChI=1S/C7H5NOS/c8-5-10-7-3-1-6(9)2-4-7/h1-4,9H ChemAxon inchikey FMRRFPFZGPDDLZ-UHFFFAOYSA-N ChemAxon polar_surface_area 44.02 ChemAxon refractivity 41.9 ChemAxon polarizability 14.67 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25869 Specdb::CMs 46843 Specdb::CMs 169104 Specdb::MsIr 9009 Specdb::MsIr 9010 Specdb::MsIr 9011 Specdb::MsMs 323335 Specdb::MsMs 323336 Specdb::MsMs 323337 Specdb::MsMs 371464 Specdb::MsMs 371465 Specdb::MsMs 371466 Specdb::MsMs 2787553 Specdb::MsMs 2787554 Specdb::MsMs 2787555 Specdb::MsMs 2917538 Specdb::MsMs 2917539 Specdb::MsMs 2917540 Specdb::NmrOneD 42062 Specdb::NmrOneD 42063 Specdb::NmrOneD 42064 Specdb::NmrOneD 42065 Specdb::NmrOneD 42066 Specdb::NmrOneD 42067 Specdb::NmrOneD 42068 Specdb::NmrOneD 42069 Specdb::NmrOneD 42070 Specdb::NmrOneD 42071 Specdb::NmrOneD 42072 Specdb::NmrOneD 42073 Specdb::NmrOneD 42074 Specdb::NmrOneD 42075 Specdb::NmrOneD 42076 Specdb::NmrOneD 42077 Specdb::NmrOneD 42078 Specdb::NmrOneD 42079 Specdb::NmrOneD 42080 Specdb::NmrOneD 42081 HMDB40578 #<Reference:0x000055ce31f64348> Fruits Unknown generic