11666
  -OEChem-05132410262D

  6  5  0     0  0  0  0  0  0999 V2000
    2.0000   -0.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0000    0.0000 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_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
37.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAABHAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAYAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
trichloromethyl thiohypochlorite

> <PUBCHEM_IUPAC_CAS_NAME>
thiohypochlorous acid trichloromethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
trichloromethyl thiohypochlorite

> <PUBCHEM_IUPAC_NAME>
trichloromethyl thiohypochlorite

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
trichloromethyl thiohypochlorite

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
thiohypochlorous acid trichloromethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CCl4S/c2-1(3,4)6-5

> <PUBCHEM_IUPAC_INCHIKEY>
RYFZYYUIAZYQLC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
185.844532

> <PUBCHEM_MOLECULAR_FORMULA>
CCl4S

> <PUBCHEM_MOLECULAR_WEIGHT>
185.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(SCl)(Cl)(Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(SCl)(Cl)(Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
25.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
183.847482

> <PUBCHEM_TOTAL_CHARGE>
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_COORDINATE_TYPE>
1
5
255

$$$$