Mrv0541 05061307272D          

  5  4  0  0  0  0            999 V2000
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    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
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB012121

> <DATABASE_NAME>
foodb

> <SMILES>
C=CSC=C

> <INCHI_IDENTIFIER>
InChI=1S/C4H6S/c1-3-5-4-2/h3-4H,1-2H2

> <INCHI_KEY>
UIYCHXAGWOYNNA-UHFFFAOYSA-N

> <FORMULA>
C4H6S

> <MOLECULAR_WEIGHT>
86.155

> <EXACT_MASS>
86.019020882

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
9.401472840949577

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(ethenylsulfanyl)ethene

> <ALOGPS_LOGP>
2.00

> <JCHEM_LOGP>
1.4568505896666664

> <ALOGPS_LOGS>
-1.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
26.7581

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,1'-thiobisethene

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB012121

> <GENERIC_NAME>
Divinyl sulfide

$$$$