Mrv1572004191603292D          

  6  5  0  0  0  0            999 V2000
    1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    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
  6  2  1  0  0  0  0
  6  3  2  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012301

> <DATABASE_NAME>
chemdb

> <SMILES>
COS(F)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH3FO3S/c1-5-6(2,3)4/h1H3

> <INCHI_KEY>
MBXNQZHITVCSLJ-UHFFFAOYSA-N

> <FORMULA>
CH3FO3S

> <MOLECULAR_WEIGHT>
114.09

> <EXACT_MASS>
113.978693294

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
7.859903605505882

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(fluorosulfonyl)oxy]methane

> <ALOGPS_LOGP>
0.91

> <JCHEM_LOGP>
0.01421576333333327

> <ALOGPS_LOGS>
-1.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
17.1898

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.35e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(fluorosulfonyl)oxy]methane

> <JCHEM_VEBER_RULE>
0

> <NAME>
Fluorosulfuric acid, methyl ester

> <CAS>
421-20-5

> <SYNONYMS>
Methyl Fluorosulfate

$$$$