1068
  Mrv0541 02231219282D          

  3  2  0  0  0  0            999 V2000
    2.3644   -0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0789    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6499    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <DATABASE_ID>
DBMET00551

> <DATABASE_NAME>
drugbank

> <SMILES>
CSC

> <INCHI_IDENTIFIER>
InChI=1S/C2H6S/c1-3-2/h1-2H3

> <INCHI_KEY>
QMMFVYPAHWMCMS-UHFFFAOYSA-N

> <FORMULA>
C2H6S

> <MOLECULAR_WEIGHT>
62.134

> <EXACT_MASS>
62.019020882

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.0

> <JCHEM_AVERAGE_POLARIZABILITY>
7.236348155286841

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(methylsulfanyl)methane

> <ALOGPS_LOGP>
0.59

> <JCHEM_LOGP>
1.2235795016666668

> <ALOGPS_LOGS>
-0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
18.8917

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.85e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydrofolic acid

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DBMET00551

> <NAME>
Dimethyl sulfide

> <UNII>
QS3J7O7L3U

$$$$