Mrv1572004191601162D          

  6  5  0  0  0  0            999 V2000
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    1.4289    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270    0.3020    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.3020    1.1270    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Cl  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
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  6  1  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004274

> <DATABASE_NAME>
chemdb

> <SMILES>
ClSC(Cl)(Cl)Cl

> <INCHI_IDENTIFIER>
InChI=1S/CCl4S/c2-1(3,4)6-5

> <INCHI_KEY>
RYFZYYUIAZYQLC-UHFFFAOYSA-N

> <FORMULA>
CCl4S

> <MOLECULAR_WEIGHT>
185.87

> <EXACT_MASS>
183.847482

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
13.221074264655659

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
trichloro(chlorosulfanyl)methane

> <ALOGPS_LOGP>
2.88

> <JCHEM_LOGP>
3.411352993333333

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
34.209900000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.65e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
perchloromethyl mercaptan

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methanesulfenyl chloride, trichloro-

> <CAS>
594-42-3

> <SYNONYMS>
Perchloromethyl Mercaptan; Perchloromethyl mercaptan; Perchloromethylmercaptan; Trichloromethanesulfenyl chloride; trichloromethyl thiohypochlorite

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