9274
  -OEChem-04182400082D

 20 19  0     0  0  0  0  0  0999 V2000
    4.0981    0.5976    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.1345    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.2315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287   -0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.2065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5062   -0.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862    0.7685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.2315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4081    1.1345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  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
  6 10  1  0  0  0  0
  6 11  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 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9274

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
107

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBgMAJgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAACAAAACggAICAAAAARAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
diethoxy-mercapto-sulfanylidenephosphorane

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
diethoxy-mercapto-thioxo-phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C4H11O2PS2/c1-3-5-7(8,9)6-4-2/h3-4H2,1-2H3,(H,8,9)

> <PUBCHEM_IUPAC_INCHIKEY>
IRDLUHRVLVEUHA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
185.99380893

> <PUBCHEM_MOLECULAR_FORMULA>
C4H11O2PS2

> <PUBCHEM_MOLECULAR_WEIGHT>
186.2

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

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

> <PUBCHEM_CACTVS_TPSA>
51.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.99380893

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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

$$$$