62519
  -OEChem-05072412302D

 28 28  0     0  0  0  0  0  0999 V2000
    2.0000   -1.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    0.8840    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    2.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    3.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    3.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3441    2.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    1.9960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 14  1  0  0  0  0
 12 13  2  0  0  0  0
 12 20  1  0  0  0  0
 13 15  1  0  0  0  0
 14 15  2  0  0  0  0
 14 21  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62519

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
275

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBwMAJmAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgYAACAACAKAUCKyAYAAARiAACBCAAACAQAgDRAIiBgAAogIICKhExCAIAAggAAIiAcAAAAAAAAQABAAAIAAACAAIAABAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-thioxo-lambda5-phosphane

> <PUBCHEM_IUPAC_CAS_NAME>
[[(2,5-dichlorophenyl)thio]methylthio]-dimethoxy-sulfanylidenephosphorane

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-&lambda;<SUP>5</SUP>-phosphane

> <PUBCHEM_IUPAC_NAME>
(2,5-dichlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[2,5-bis(chloranyl)phenyl]sulfanylmethylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[[(2,5-dichlorophenyl)thio]methylthio]-dimethoxy-thioxo-phosphorane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11Cl2O2PS3/c1-12-14(15,13-2)17-6-16-9-5-7(10)3-4-8(9)11/h3-5H,6H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
IHCHKPCNDMQWGF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.4

> <PUBCHEM_EXACT_MASS>
347.9035855

> <PUBCHEM_MOLECULAR_FORMULA>
C9H11Cl2O2PS3

> <PUBCHEM_MOLECULAR_WEIGHT>
349.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
COP(=S)(OC)SCSC1=C(C=CC(=C1)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
347.9035855

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
12  13  8
13  15  8
14  15  8
9  11  8
9  12  8

$$$$