Mrv0541 05061311102D          

 11 10  0  0  0  0            999 V2000
   -3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9552    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2408    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5263    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0461    1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3316    1.8414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0974    1.8414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    1.4289    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
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB019060

> <DATABASE_NAME>
foodb

> <SMILES>
C=CCSSSSSCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C6H10S5/c1-3-5-7-9-11-10-8-6-4-2/h3-4H,1-2,5-6H2

> <INCHI_KEY>
CPDTWYIIHJBBCB-UHFFFAOYSA-N

> <FORMULA>
C6H10S5

> <MOLECULAR_WEIGHT>
242.469

> <EXACT_MASS>
241.93860377

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
23.955801456268723

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
bis(prop-2-en-1-yl)pentasulfane

> <ALOGPS_LOGP>
2.39

> <JCHEM_LOGP>
4.544302474333333

> <ALOGPS_LOGS>
-3.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
62.684400000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.91e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
bis(prop-2-en-1-yl)pentasulfane

> <JCHEM_VEBER_RULE>
1

> <FOODB_ID>
FDB019060

> <GENERIC_NAME>
Di-2-propenyl pentasulfide

$$$$