1.0 2016-09-30 23:05:28 UTC 2020-04-22 15:12:33 UTC BMDB0003584 BMDB03584 Taurocyamine 2-{[amino(imino)methyl]amino}ethanesulfonic acid Guanidinoethane sulfonic acid N-(Aminoiminomethyl) taurine 2-{[amino(imino)methyl]amino}ethanesulfonate 2-{[amino(imino)methyl]amino}ethanesulphonate 2-{[amino(imino)methyl]amino}ethanesulphonic acid Guanidinoethane sulfonate Guanidinoethane sulphonate Guanidinoethane sulphonic acid 2-{Carbamimidamido}ethanesulfonate 2-{Carbamimidamido}ethanesulfonic acid Guanidinoethanesulfonate Guanidinoethanesulfonic acid Guanidinoethyl sulfonate Guanodinoethane sulfonate C3H9N3O3S 167.187 167.036461859 2-[(diaminomethylidene)amino]ethane-1-sulfonic acid 2-[(diaminomethylidene)amino]ethanesulfonic acid 543-18-0 NC(N)=NCCS(O)(=O)=O InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9) JKLRIMRKZBSSED-UHFFFAOYSA-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 Carboximidamides Guanidines Hydrocarbon derivatives Imines Organic oxides Organopnictogen compounds Sulfonyls Aliphatic acyclic compound Alkanesulfonic acid Carboximidamide Guanidine Hydrocarbon derivative Imine Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organopnictogen compound Organosulfonic acid Organosulfur compound Sulfonyl Aliphatic acyclic compounds guanidines Solid water_solubility 39 mg/mL at 21 °C logp -2.31 ALOGPS logs -1.10 ALOGPS logp -2.4 ChemAxon pka_strongest_acidic -1.2 ChemAxon pka_strongest_basic 11.77 ChemAxon iupac 2-[(diaminomethylidene)amino]ethane-1-sulfonic acid ChemAxon average_mass 167.187 ChemAxon mono_mass 167.036461859 ChemAxon smiles NC(N)=NCCS(O)(=O)=O ChemAxon formula C3H9N3O3S ChemAxon inchi InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9) ChemAxon inchikey JKLRIMRKZBSSED-UHFFFAOYSA-N ChemAxon polar_surface_area 118.77 ChemAxon refractivity 35.03 ChemAxon polarizability 14.96 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 6 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 22321 Specdb::CMs 165659 Specdb::MsIr 2010 Specdb::MsIr 2011 Specdb::MsIr 2012 Specdb::MsMs 7685 Specdb::MsMs 7686 Specdb::MsMs 7687 Specdb::MsMs 14357 Specdb::MsMs 14358 Specdb::MsMs 14359 Specdb::MsMs 2400828 Specdb::MsMs 2400829 Specdb::MsMs 2400830 Specdb::MsMs 2537909 Specdb::MsMs 2537910 Specdb::MsMs 2537911 Specdb::NmrOneD 28362 Specdb::NmrOneD 28363 Specdb::NmrOneD 28364 Specdb::NmrOneD 28365 Specdb::NmrOneD 28366 Specdb::NmrOneD 28367 Specdb::NmrOneD 28368 Specdb::NmrOneD 28369 Specdb::NmrOneD 28370 Specdb::NmrOneD 28371 Specdb::NmrOneD 28372 Specdb::NmrOneD 28373 Specdb::NmrOneD 28374 Specdb::NmrOneD 28375 Specdb::NmrOneD 28376 Specdb::NmrOneD 28377 Specdb::NmrOneD 28378 Specdb::NmrOneD 28379 Specdb::NmrOneD 28380 Specdb::NmrOneD 28381 FDB023202 C01959 61635 68340 17228 6962