Mrv1572004221604102D          

 11 11  0  0  0  0            999 V2000
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9728    1.8330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.1628    1.8330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084    0.4663    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6581    1.2366    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7304   -0.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751   -0.9748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  4  1  0  0  0  0
 11  1  1  0  0  0  0
 11  2  1  0  0  0  0
 11  9  2  0  0  0  0
 11 10  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017703

> <DATABASE_NAME>
chemdb

> <SMILES>
ClC1(Cl)CS(=O)(=O)CC1(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/C4H4Cl4O2S/c5-3(6)1-11(9,10)2-4(3,7)8/h1-2H2

> <INCHI_KEY>
GCAXGCSCRRVVLF-UHFFFAOYSA-N

> <FORMULA>
C4H4Cl4O2S

> <MOLECULAR_WEIGHT>
257.93

> <EXACT_MASS>
255.8686113

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
19.367564291490428

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,3,4,4-tetrachloro-1λ⁶-thiolane-1,1-dione

> <ALOGPS_LOGP>
1.84

> <JCHEM_LOGP>
1.9668759026666667

> <ALOGPS_LOGS>
-2.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
46.5808

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.33e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,3,4,4-tetrachloro-1λ⁶-thiolane-1,1-dione

> <JCHEM_VEBER_RULE>
1

> <NAME>
3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide

> <CAS>
3737-41-5

> <SYNONYMS>
3,3,4,4-tetrachloro-1λ⁶-thiolane-1,1-dione

$$$$