Mrv1572004191603282D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012227

> <DATABASE_NAME>
chemdb

> <SMILES>
ClP(Cl)(Cl)=S

> <INCHI_IDENTIFIER>
InChI=1S/Cl3PS/c1-4(2,3)5

> <INCHI_KEY>
WQYSXVGEZYESBR-UHFFFAOYSA-N

> <FORMULA>
Cl3PS

> <MOLECULAR_WEIGHT>
169.38

> <EXACT_MASS>
167.8523913

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
11.512193486351904

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
phosphorothioyl trichloride

> <ALOGPS_LOGP>
2.54

> <JCHEM_LOGP>
2.1659546966666663

> <ALOGPS_LOGS>
-2.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
33.3579

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.50e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thiophosphoryl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Thiophosphoryl chloride

> <CAS>
3982-91-0

$$$$