11666 1 2 3 4 5 6 17 17 17 17 16 6 1 2 3 4 5 6 6 6 5 6 1 1 1 1 1 1 5 255 1 2 3 4 5 6 2 2.366 3.366 4.5981 3.732 2.866 -0.5 0.866 -0.866 0 0.5 0 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.3 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 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 00000371000000004700000000000000000000000000000000000000000000000000000000000000060000000000000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trichloromethyl thiohypochlorite IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiohypochlorous acid trichloromethyl ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trichloromethyl thiohypochlorite IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trichloromethyl thiohypochlorite IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 trichloromethyl thiohypochlorite IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 thiohypochlorous acid trichloromethyl ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/CCl4S/c2-1(3,4)6-5 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RYFZYYUIAZYQLC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.844532 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 CCl4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 185.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(SCl)(Cl)(Cl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(SCl)(Cl)(Cl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 25.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 183.847482 6 0 0 0 0 0 0 0 1 -1