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Showing structure for CHEM004274: Methanesulfenyl chloride, trichloro-
11666 -OEChem-10091907353D 6 5 0 0 0 0 0 0 0999 V2000 0.4307 1.0653 1.4335 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4777 0.9900 -1.4880 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0235 -0.9203 0.0482 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5100 0.0570 -0.0013 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9018 -1.1909 0.0080 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4799 -0.0011 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 11666 > <PUBCHEM_CONFORMER_RMSD> 0.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 6 1 -0.29 2 -0.29 3 -0.29 4 -0.07 5 -0.16 6 1.1 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 1 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 6 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 00002D9200000001 > <PUBCHEM_MMFF94_ENERGY> 1.7585 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 137420 1 8700635918171263266 16714656 1 17896033256674167935 20096714 4 17460041888272516271 24536 1 17753037582173745367 29004967 10 17603311435794919146 5084963 1 18334294288502338699 5943 1 14454963952557984392 > <PUBCHEM_SHAPE_MULTIPOLES> 134.81 2.64 1.4 1.37 1.27 0.07 -0.05 0.62 0.02 -0.23 0.03 -0.34 -0.73 -0.02 > <PUBCHEM_SHAPE_SELFOVERLAP> 197.287 > <PUBCHEM_SHAPE_VOLUME> 100.6 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM004274: Methanesulfenyl chloride, trichloro-