174464 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 17 16 16 6 6 6 6 1 1 1 1 1 1 1 1 1 2 3 5 5 5 6 6 6 7 7 7 8 8 3 4 4 6 7 8 9 10 11 12 13 14 15 16 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 0.1039 2.702 0.9699 1.836 1.403 2.269 0.5369 1.403 2.579 2.8059 1.959 0.8469 0 0.2269 0.866 1.9399 0.5 0 0 0.5 3.81 4.31 4.31 2.81 3.7731 4.62 4.8469 4.8469 4.62 3.7731 2.5 2.5 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 29 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 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 00000371C0600000660000000000000000000000000000000000000000000000000000000000001800000000000C008000000200000000008002004200000000000000000000000000000000000001000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chlorosulfanyl thiohypochlorite;2-methylprop-1-ene IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-methyl-1-propene;thiohypochlorous acid (chlorothio) ester IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chlorosulfanyl thiohypochlorite;2-methylprop-1-ene IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chlorosulfanyl thiohypochlorite;2-methylprop-1-ene IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 chloranylsulfanyl thiohypochlorite;2-methylprop-1-ene IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 isobutylene;thiohypochlorous acid (chlorothio) ester InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H8.Cl2S2/c1-4(2)3;1-3-4-2/h1H2,2-3H3; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PGTVRBCOEYABRN-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 189.9444480 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H8Cl2S2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 191.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=C)C.S(SCl)Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=C)C.S(SCl)Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 50.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 189.9444480 8 0 0 0 0 0 0 0 2 1