Mrv0541 05061311082D          

  9  9  0  0  0  0            999 V2000
    1.9086    1.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0544    0.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5458   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1333    1.6186    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211    0.6219    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3581    1.3364    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778   -0.1905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0888   -0.1905    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7208   -0.7208    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  4  1  0  0  0  0
  7  3  1  0  0  0  0
  7  5  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM032761

> <DATABASE_NAME>
chemdb

> <SMILES>
C1SSCSSCSS1

> <INCHI_IDENTIFIER>
InChI=1S/C3H6S6/c1-4-6-2-8-9-3-7-5-1/h1-3H2

> <INCHI_KEY>
BWXFNUCDJXXBHX-UHFFFAOYSA-N

> <FORMULA>
C3H6S6

> <MOLECULAR_WEIGHT>
234.47

> <EXACT_MASS>
233.879374332

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
21.119685746100693

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,2,4,5,7,8-hexathionane

> <ALOGPS_LOGP>
1.20

> <JCHEM_LOGP>
2.410270005

> <ALOGPS_LOGS>
-2.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
60.521100000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.17e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,2,4,5,7,8-hexathionane

> <JCHEM_VEBER_RULE>
1

> <NAME>
1,2,4,5,7,8-Hexathionane

> <CAS>
81531-38-6

$$$$