12232
  Mrv0541 02231220312D          

  4  3  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
    3.0790    0.2063    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -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
  2  4  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB003491

> <DATABASE_NAME>
foodb

> <SMILES>
CSSC

> <INCHI_IDENTIFIER>
InChI=1S/C2H6S2/c1-3-4-2/h1-2H3

> <INCHI_KEY>
WQOXQRCZOLPYPM-UHFFFAOYSA-N

> <FORMULA>
C2H6S2

> <MOLECULAR_WEIGHT>
94.199

> <EXACT_MASS>
93.991091572

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.814507173761662

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(methyldisulfanyl)methane

> <ALOGPS_LOGP>
1.15

> <JCHEM_LOGP>
1.3502556653333335

> <ALOGPS_LOGS>
-1.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
27.1472

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.32e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dimethyl disulfide

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB003491

> <GENERIC_NAME>
Dimethyl disulfide

$$$$