Mrv0541 02231215142D          

  4  3  0  0  0  0            999 V2000
    2.3643    0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  END
> <DRUGBANK_ID>
DB01093

> <DRUG_GROUPS>
approved

> <GENERIC_NAME>
Dimethyl sulfoxide

> <SYNONYMS>
Diemthyl sulfoxide; Dimethyl sulfoxide BP; Dimethyl sulfur oxide; Dimethyl sulphoxide; Dimethyl sulpoxide; Dimexidum; Methyl sulfoxide; Methylsulfinylmethane; Sulfinylbis-methane; Sulfinylbismethane; Sulfinyldimethane

> <BRANDS>
Decap; Deltan; Demasorb; Demavet; Demeso; Demsodrox; Dermasorb; Dimexide; Dipirartril-tropico; Dolicur; Doligur; Domoso; Dromisol; Durasorb; Gamasol 90; Hyadur; Infiltrina; Kemsol; Rimso 50; Sclerosol; Somipront; Syntexan; Topsym

> <CHEMICAL_FORMULA>
C2H6OS

> <MOLECULAR_WEIGHT>
78.133

> <EXACT_MASS>
78.013935504

> <IUPAC_NAME>
methanesulfinylmethane

> <INCHI_IDENTIFIER>
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

> <INCHI_KEY>
InChIKey=IAZDPXIOMUYVGZ-UHFFFAOYSA-N

> <SMILES>
CS(C)=O

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_DONOR_COUNT>
0

> <ALOGPS_LOGP>
-1.1

> <JCHEM_LOGP>
-1.4

> <ALOGPS_LOGS>
-0.08

> <JCHEM_POLARIZABILITY>
7.91

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
20.73

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <ALOGPS_SOLUBILITY>
6.57e+01 g/l

$$$$