1.0 2020-03-10 16:59:02 UTC 2020-04-22 18:55:14 UTC BMDB0095969 BMDB95969 Cyanosulfurous acid anion Cyanosulphurous acid anion CNSu Cyanosulfurous acid Dihydroxy-λ⁴-sulphanyl CH2NO2S 92.097 91.980624003 dihydroxy-lambda3-sulfanecarbonitrile dihydroxy-lambda3-sulfanecarbonitrile O[S](O)C#N InChI=1S/CH2NO2S/c2-1-5(3)4/h3-4H QYFNKYSGTDITHU-UHFFFAOYSA-N belongs to the class of organic compounds known as thiocyanates. These are salts or esters of thiocyanic acid, with the general formula RSC#N (R=alkyl, aryl). Organic compounds Organosulfur compounds Thiocyanates Thiocyanates Hydrocarbon derivatives Organic oxygen compounds Organonitrogen compounds Organopnictogen compounds Aliphatic acyclic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organopnictogen compound Thiocyanate Aliphatic acyclic compounds logp -0.52 ALOGPS logs -0.55 ALOGPS logp -0.57 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -3.9 ChemAxon iupac dihydroxy-lambda3-sulfanecarbonitrile ChemAxon average_mass 92.097 ChemAxon mono_mass 91.980624003 ChemAxon smiles O[S](O)C#N ChemAxon formula CH2NO2S ChemAxon inchi InChI=1S/CH2NO2S/c2-1-5(3)4/h3-4H ChemAxon inchikey QYFNKYSGTDITHU-UHFFFAOYSA-N ChemAxon polar_surface_area 64.25 ChemAxon refractivity 17.54 ChemAxon polarizability 7.01 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 14737 Specdb::CMs 170812 Specdb::MsMs 298558 Specdb::MsMs 298559 Specdb::MsMs 298560 Specdb::MsMs 340345 Specdb::MsMs 340346 Specdb::MsMs 340347 Specdb::MsMs 2679367 Specdb::MsMs 2679368 Specdb::MsMs 2679369 Specdb::MsMs 3026070 Specdb::MsMs 3026071 Specdb::MsMs 3026072 FDB029207