24648
  -OEChem-04252401242D

  5  4  0     0  0  0  0  0  0999 V2000
    3.7320    0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24648

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
85.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMABGAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
sulfuryl chloride

> <PUBCHEM_IUPAC_CAS_NAME>
sulfuryl dichloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
sulfuryl dichloride

> <PUBCHEM_IUPAC_NAME>
sulfuryl dichloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
sulfuryl dichloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
sulfuryl chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Cl2O2S/c1-5(2,3)4

> <PUBCHEM_IUPAC_INCHIKEY>
YBBRCQOCSYXUOC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
133.8996058

> <PUBCHEM_MOLECULAR_FORMULA>
Cl2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
134.97

> <PUBCHEM_OPENEYE_CAN_SMILES>
O=S(=O)(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
O=S(=O)(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
42.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
133.8996058

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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_COORDINATE_TYPE>
1
5
255

$$$$