Mrv1652306031609012D          

  6  5  0  0  0  0            999 V2000
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  2  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045278

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H5ClO2S/c1-2-6(3,4)5/h2H2,1H3

> <INCHI_KEY>
FRYHCSODNHYDPU-UHFFFAOYSA-N

> <FORMULA>
C2H5ClO2S

> <MOLECULAR_WEIGHT>
128.57

> <EXACT_MASS>
127.9698783

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
10.547168998652221

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethanesulfonyl chloride

> <ALOGPS_LOGP>
0.32

> <JCHEM_LOGP>
0.31401991499999987

> <ALOGPS_LOGS>
-0.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
24.975600000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.85e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethanesulfonyl chloride

> <JCHEM_VEBER_RULE>
1

> <NAME>
ethanesulphonyl chloride

> <CAS>
594-44-5

$$$$