24478 1 2 3 4 5 6 7 16 16 8 8 8 1 1 1 1 1 1 3 4 2 3 4 5 6 7 2 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 3.403 2.903 4.269 2.5369 3.903 4.8059 2 0 0.866 0.5 -0.5 -0.866 0.19 -0.19 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 98.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371000030006000000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000800000000000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurothioic O-acid IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurothioic O-acid IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurothioic O-acid IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurothioic O-acid IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 sulfurothioic O-acid InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 DHCDFWKWKRSZHF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.02.08 0.3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 113.944536 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 H2O3S2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 114.14408 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 OS(=O)(=S)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 OS(=O)(=S)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 98 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 113.944536 5 0 0 0 0 0 0 0 1 1