1.0 2016-09-30 22:53:05 UTC 2020-04-22 15:10:20 UTC BMDB0002238 BMDB02238 L-Homocysteine sulfonic acid L-Homocysteine sulfonate L-Homocysteine sulphonate L-Homocysteine sulphonic acid (S)-3-amino-3-Carboxy-1-propanesulfonate L-homocysteine (ester) (1R)-1-Amino-3-sulfanylpropane-1-sulfonate (1R)-1-Amino-3-sulphanylpropane-1-sulphonate (1R)-1-Amino-3-sulphanylpropane-1-sulphonic acid C3H9NO3S2 171.238 171.002384539 (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid L-homocysteine sulfonate 59729-28-1 N[C@@H](CCS)S(O)(=O)=O InChI=1S/C3H9NO3S2/c4-3(1-2-8)9(5,6)7/h3,8H,1-2,4H2,(H,5,6,7)/t3-/m1/s1 MHHDKRFQNZZMOE-GSVOUGTGSA-N belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). Organic compounds Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives Organosulfonic acids Alkanesulfonic acids Alkylthiols Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds Sulfonyls Aliphatic acyclic compound Alkanesulfonic acid Alkylthiol Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfur compound Primary aliphatic amine Sulfonyl Aliphatic acyclic compounds Solid logp -1.73 ALOGPS logs -1.20 ALOGPS logp -1.4 ChemAxon pka_strongest_acidic -3.2 ChemAxon pka_strongest_basic 7.66 ChemAxon iupac (1R)-1-amino-3-sulfanylpropane-1-sulfonic acid ChemAxon average_mass 171.238 ChemAxon mono_mass 171.002384539 ChemAxon smiles N[C@@H](CCS)S(O)(=O)=O ChemAxon formula C3H9NO3S2 ChemAxon inchi InChI=1S/C3H9NO3S2/c4-3(1-2-8)9(5,6)7/h3,8H,1-2,4H2,(H,5,6,7)/t3-/m1/s1 ChemAxon inchikey MHHDKRFQNZZMOE-GSVOUGTGSA-N ChemAxon polar_surface_area 80.39 ChemAxon refractivity 36.46 ChemAxon polarizability 15.63 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 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 18681 Specdb::CMs 164735 Specdb::MsIr 1704 Specdb::MsIr 1705 Specdb::MsIr 1706 Specdb::MsMs 307468 Specdb::MsMs 307469 Specdb::MsMs 307470 Specdb::MsMs 351430 Specdb::MsMs 351431 Specdb::MsMs 351432 Specdb::MsMs 2748151 Specdb::MsMs 2748152 Specdb::MsMs 2748153 Specdb::MsMs 2933901 Specdb::MsMs 2933902 Specdb::MsMs 2933903 FDB022924 13628321 21252279 6566