Mrv0541 02241215562D          

  7  6  0  0  0  0            999 V2000
   -0.7152   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2056    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7151   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1439   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288    0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1439   -0.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  2  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB019949

> <DATABASE_NAME>
foodb

> <SMILES>
C\C=C\S\C=C\C

> <INCHI_IDENTIFIER>
InChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-6H,1-2H3/b5-3+,6-4+

> <INCHI_KEY>
RJDJXOBGMMKPMH-GGWOSOGESA-N

> <FORMULA>
C6H10S

> <MOLECULAR_WEIGHT>
114.209

> <EXACT_MASS>
114.05032101

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
13.40846177338741

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1E)-1-[(1E)-prop-1-en-1-ylsulfanyl]prop-1-ene

> <ALOGPS_LOGP>
3.58

> <JCHEM_LOGP>
2.2301205790000003

> <ALOGPS_LOGS>
-2.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
38.1051

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.68e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1E)-1-[(1E)-prop-1-en-1-ylsulfanyl]prop-1-ene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB019949

> <GENERIC_NAME>
Di-1-propenyl sulfide

$$$$