2.0 2015-09-08 17:49:06 -0600 2015-09-08 17:49:06 -0600 ECMDB24080 M2MDB006197 Cysteamine C2H7NS 77.149 77.029919919 2-aminoethane-1-thiol cysteamine NCCS InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2 UFULAYFCSOUIOV-UHFFFAOYSA-N logp 0.01 ALOGPS logs -0.52 ALOGPS solubility 2.35e+01 g/l ALOGPS logp -0.42 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic 10.4 ChemAxon iupac 2-aminoethane-1-thiol ChemAxon average_mass 77.149 ChemAxon mono_mass 77.029919919 ChemAxon smiles NCCS ChemAxon formula C2H7NS ChemAxon inchi InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2 ChemAxon inchikey UFULAYFCSOUIOV-UHFFFAOYSA-N ChemAxon polar_surface_area 26.02 ChemAxon refractivity 22.39 ChemAxon polarizability 8.65 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 825 Specdb::CMs 826 Specdb::CMs 827 Specdb::CMs 1137 Specdb::CMs 9234 Specdb::CMs 30179 Specdb::CMs 30271 Specdb::CMs 30924 Specdb::CMs 31435 Specdb::CMs 31679 Specdb::CMs 31739 Specdb::CMs 160424 Specdb::NmrOneD 1919 Specdb::NmrOneD 149380 Specdb::NmrOneD 149381 Specdb::NmrOneD 149382 Specdb::NmrOneD 149383 Specdb::NmrOneD 149384 Specdb::NmrOneD 149385 Specdb::NmrOneD 149386 Specdb::NmrOneD 149387 Specdb::NmrOneD 149388 Specdb::NmrOneD 149389 Specdb::NmrOneD 149390 Specdb::NmrOneD 149391 Specdb::NmrOneD 149392 Specdb::NmrOneD 149393 Specdb::NmrOneD 149394 Specdb::NmrOneD 149395 Specdb::NmrOneD 149396 Specdb::NmrOneD 149397 Specdb::NmrOneD 149398 Specdb::NmrOneD 149399 Specdb::MsMs 2176 Specdb::MsMs 2177 Specdb::MsMs 2178 Specdb::MsMs 264549 Specdb::MsMs 264550 Specdb::MsMs 264551 Specdb::MsMs 284478 Specdb::MsMs 284479 Specdb::MsMs 284480 Specdb::MsMs 2233837 Specdb::MsMs 2352859 Specdb::MsMs 2352860 Specdb::MsMs 2352861 Specdb::MsMs 2585446 Specdb::MsMs 2585447 Specdb::MsMs 2585448 Specdb::NmrTwoD 1854 Pantetheine + Water + Pantetheine > Pantothenic acid + Cysteamine + Pantothenic acid PW_R002989