Mrv1718006181812442D          

  5  4  0  0  0  0            999 V2000
   -0.8250    0.0000    0.0000 C   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
    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 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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  2  5  2  0  0  0  0
M  END
> <DATABASE_ID>
DB14090

> <DATABASE_NAME>
drugbank

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H6O2S/c1-5(2,3)4/h1-2H3

> <INCHI_KEY>
HHVIBTZHLRERCL-UHFFFAOYSA-N

> <FORMULA>
C2H6O2S

> <MOLECULAR_WEIGHT>
94.133

> <EXACT_MASS>
94.008850126

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
8.602570349100972

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methanesulfonylmethane

> <ALOGPS_LOGP>
-0.95

> <JCHEM_LOGP>
-1.3009717433333332

> <ALOGPS_LOGS>
-0.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
20.533

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.58e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methylsulfonylmethane

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14090

> <DRUG_GROUPS>
experimental; investigational

> <GENERIC_NAME>
Dimethyl sulfone

> <SYNONYMS>
Dimethyl sulphone; Methyl sulfone; Methylsulfonyl methane; Methylsulfonylmethane; MSM; Sulfonylbismethane

> <PRODUCTS>
DOCTOR HOYS Arnica Boost; Dpheal Sul 16 Cool; Dpheal Sul 16 Hot; Goodoh EnergyCream; IMPLAHeal P.OCream; MSM2000 Premium; Medi-flexx Joint Support Formula; Medi-flexx Rx Joint Support Formula; Msm; Powerfulx Ginseng RecoveryCream; RANDEX HEMP cream; TENHEALER Pain Rub; arthronSAN

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