Mrv0541 05061311222D          

 12 11  0  0  0  0            999 V2000
    1.9224    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5079    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2059    1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3809    0.3020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.4289    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.0164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    1.0164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    1.0164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    1.0164    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  9  3  1  0  0  0  0
  9  4  1  0  0  0  0
 10  3  1  0  0  0  0
 10  5  1  0  0  0  0
 11  4  1  0  0  0  0
 11  8  1  0  0  0  0
 12  2  1  0  0  0  0
 12  5  1  0  0  0  0
 12  6  2  0  0  0  0
 12  7  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM033056

> <DATABASE_NAME>
chemdb

> <SMILES>
CSSCSCSCS(C)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H12O2S5/c1-8-11-4-9-3-10-5-12(2,6)7/h3-5H2,1-2H3

> <INCHI_KEY>
BHWJQDRVDKQMFE-UHFFFAOYSA-N

> <FORMULA>
C5H12O2S5

> <MOLECULAR_WEIGHT>
264.473

> <EXACT_MASS>
263.944083078

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
27.788339183806062

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
methanesulfonyl[({[(methyldisulfanyl)methyl]sulfanyl}methyl)sulfanyl]methane

> <ALOGPS_LOGP>
1.05

> <JCHEM_LOGP>
0.9405264843333331

> <ALOGPS_LOGS>
-3.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
64.92670000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.30e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methanesulfonyl[({[(methyldisulfanyl)methyl]sulfanyl}methyl)sulfanyl]methane

> <JCHEM_VEBER_RULE>
1

> <NAME>
2,3,5,7,9-Pentathiadecane 2,2-dioxide

> <CAS>
156430-94-3

$$$$