Mrv0541 02241212382D          

  9  8  0  0  0  0            999 V2000
   -3.2116    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4971    3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7827    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0682    3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3537    2.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3607    3.0348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0752    2.6223    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    3.0348    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9261    3.0348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM025331

> <DATABASE_NAME>
chemdb

> <SMILES>
SSS\C=C\CCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C6H10S3/c1-2-3-4-5-6-8-9-7/h2,5-7H,1,3-4H2/b6-5+

> <INCHI_KEY>
UHZPAMDDFODOJH-AATRIKPKSA-N

> <FORMULA>
C6H10S3

> <MOLECULAR_WEIGHT>
178.339

> <EXACT_MASS>
177.99446239

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
18.80491171834015

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(1E)-hexa-1,5-dien-1-ylsulfanyl]dithioperoxol

> <ALOGPS_LOGP>
2.59

> <JCHEM_LOGP>
3.5583559263333333

> <ALOGPS_LOGS>
-3.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.17547120650356

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
49.108000000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.49e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1E)-hexa-1,5-dien-1-ylsulfanyldithioperoxol

> <JCHEM_VEBER_RULE>
1

> <NAME>
Hexa-1,5-dienyl trisulfide

$$$$