Mrv0541 05061310152D          

 14 14  0  0  0  0            999 V2000
    2.4248    4.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1393    3.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    2.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7103    3.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959    2.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337    1.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581    1.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959    1.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2337   -0.3497    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0738    0.4125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959   -0.6654    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581   -0.3497    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  7  6  1  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
  9  4  2  0  0  0  0
 10  5  1  0  0  0  0
 10  6  2  0  0  0  0
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM031529

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)=CCC\C1=C\CSSSSC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16S4/c1-9(2)4-3-5-10-6-7-11-13-14-12-8-10/h4,6H,3,5,7-8H2,1-2H3/b10-6-

> <INCHI_KEY>
OKRAIIIRDYCGGZ-POHAHGRESA-N

> <FORMULA>
C10H16S4

> <MOLECULAR_WEIGHT>
264.494

> <EXACT_MASS>
264.013483272

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
28.231795921545245

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
6-(4-methylpent-3-en-1-yl)-5,8-dihydro-1,2,3,4-tetrathiocine

> <ALOGPS_LOGP>
3.69

> <JCHEM_LOGP>
4.746170560666666

> <ALOGPS_LOGS>
-4.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
75.03739999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.08e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(4-methylpent-3-en-1-yl)-5,8-dihydro-1,2,3,4-tetrathiocine

> <JCHEM_VEBER_RULE>
1

> <NAME>
5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin

> <CAS>
82203-03-0

$$$$