Mrv1572004191603562D          

  8  7  0  0  0  0            999 V2000
    2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 C   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
  3  1  2  0  0  0  0
  4  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  2  1  0  0  0  0
  8  5  2  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM013894

> <DATABASE_NAME>
chemdb

> <SMILES>
CS(=O)(=O)OCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C4H8O3S/c1-3-4-7-8(2,5)6/h3H,1,4H2,2H3

> <INCHI_KEY>
SUDMKGNNRMLBMF-UHFFFAOYSA-N

> <FORMULA>
C4H8O3S

> <MOLECULAR_WEIGHT>
136.17

> <EXACT_MASS>
136.019415292

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
12.748005859485446

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
prop-2-en-1-yl methanesulfonate

> <ALOGPS_LOGP>
0.24

> <JCHEM_LOGP>
0.14883697700000018

> <ALOGPS_LOGS>
-1.01

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
43.370000000000005

> <JCHEM_REFRACTIVITY>
30.176500000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
prop-2-en-1-yl methanesulfonate

> <JCHEM_VEBER_RULE>
0

> <NAME>
6-Dodecyne-5,8-diol, 2,5,8,11-tetramethyl-

> <CAS>
68227-33-8

$$$$