Mrv1572004191602462D          

  5  4  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    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
    0.8250    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
  5  1  1  0  0  0  0
  5  2  1  0  0  0  0
  5  3  2  0  0  0  0
  5  4  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009704

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/CH3ClO2S/c1-5(2,3)4/h1H3

> <INCHI_KEY>
QARBMVPHQWIHKH-UHFFFAOYSA-N

> <FORMULA>
CH3ClO2S

> <MOLECULAR_WEIGHT>
114.54

> <EXACT_MASS>
113.9542282

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
8.60824822447756

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanesulfonyl chloride

> <ALOGPS_LOGP>
-0.08

> <JCHEM_LOGP>
-0.19497725733333324

> <ALOGPS_LOGS>
-0.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
20.1032

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.99e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methanesulfonyl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
Methylsulfonyl chloride

> <CAS>
124-63-0

> <SYNONYMS>
Methanesulfonyl chloride; methanesulphonyl chloride

$$$$