Mrv0541 05061306112D          

  6  5  0  0  0  0            999 V2000
   -1.8414   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1270   -0.3020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  6  5  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB008560

> <DATABASE_NAME>
foodb

> <SMILES>
CSCSSC

> <INCHI_IDENTIFIER>
InChI=1S/C3H8S3/c1-4-3-6-5-2/h3H2,1-2H3

> <INCHI_KEY>
MYIOBINSHMEDEY-UHFFFAOYSA-N

> <FORMULA>
C3H8S3

> <MOLECULAR_WEIGHT>
140.291

> <EXACT_MASS>
139.978812326

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
15.020872741971255

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(methyldisulfanyl)(methylsulfanyl)methane

> <ALOGPS_LOGP>
1.78

> <JCHEM_LOGP>
2.0218431126666667

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
39.186

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.95e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(methyldisulfanyl)(methylsulfanyl)methane

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB008560

> <GENERIC_NAME>
Methyl (methylthio)methyl disulfide

$$$$