24638 1 2 3 4 5 6 17 16 8 8 8 1 1 2 2 2 3 2 3 4 5 6 1 1 2 2 1 1 5 255 1 2 3 4 5 6 4.269 3.403 2.5369 2.903 3.903 2 0.5 0 -0.5 0.866 -0.866 -0.19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 92.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371000030004400000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000800000000000300000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfurochloridic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfurochloridic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfurochloridic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfurochloridic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfurochloridic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 sulfurochloridic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/ClHO3S/c1-5(2,3)4/h(H,2,3,4) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XTHPWXDJESJLNJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 115.9334928 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 ClHO3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 116.53 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 OS(=O)(=O)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 OS(=O)(=O)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 62.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 115.9334928 5 0 0 0 0 0 0 0 1 -1