32739
  -OEChem-05142416252D

 23 22  0     0  0  0  0  0  0999 V2000
    7.1962   -0.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.3660    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.7320    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8660    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.3911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    0.4675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0730    1.2646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7881    2.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    1.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -1.3410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2  4  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
32739

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
134

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAJkAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgYAACAAAACggEKCAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
chloromethylsulfanyl-diethoxy-thioxo-lambda5-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
(chloromethylthio)-diethoxy-sulfanylidenephosphorane

> <PUBCHEM_IUPAC_NAME_MARKUP>
chloromethylsulfanyl-diethoxy-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane

> <PUBCHEM_IUPAC_NAME>
chloromethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
chloromethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(chloromethylthio)-diethoxy-thioxo-phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
QGTYWWGEWOBMAK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
3.1

> <PUBCHEM_EXACT_MASS>
233.9704867

> <PUBCHEM_MOLECULAR_FORMULA>
C5H12ClO2PS2

> <PUBCHEM_MOLECULAR_WEIGHT>
234.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOP(=S)(OCC)SCCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOP(=S)(OCC)SCCl

> <PUBCHEM_CACTVS_TPSA>
75.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
233.9704867

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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

$$$$