Mrv1572004191604172D          

  4  3  0  0  0  0            999 V2000
   -0.4125   -0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 O   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  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015010

> <DATABASE_NAME>
chemdb

> <SMILES>
ClS(Cl)=O

> <INCHI_IDENTIFIER>
InChI=1S/Cl2OS/c1-4(2)3

> <INCHI_KEY>
FYSNRJHAOHDILO-UHFFFAOYSA-N

> <FORMULA>
Cl2OS

> <MOLECULAR_WEIGHT>
118.96

> <EXACT_MASS>
117.9046912

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
7.900539128077708

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sulfurooyl dichloride

> <ALOGPS_LOGP>
0.49

> <JCHEM_LOGP>
0.7949060746666665

> <ALOGPS_LOGS>
-0.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
19.4713

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.28e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thionyl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Thionyl chloride

> <CAS>
7719-09-7

$$$$