Mrv1572004251605382D          

 25 24  0  0  0  0            999 V2000
   -6.2684   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7342   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3052    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5539   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8395   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3052   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1250   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5908   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2671   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6961   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1618   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8763   -2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6961   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1618   -3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9816   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5526   -2.0625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 20 13  1  0  0  0  0
 20 14  1  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 21 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
 24 17  1  0  0  0  0
 24 18  1  0  0  0  0
 25 17  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM009046

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3

> <INCHI_KEY>
LMODBLQHQHXPEI-UHFFFAOYSA-N

> <FORMULA>
C19H38N2S4

> <MOLECULAR_WEIGHT>
422.77

> <EXACT_MASS>
422.191783928

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
51.289320345528246

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N,N-dibutyl({[(dibutylcarbamothioyl)sulfanyl]methyl}sulfanyl)carbothioamide

> <ALOGPS_LOGP>
6.34

> <JCHEM_LOGP>
8.027358335666666

> <ALOGPS_LOGS>
-5.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
129.0575

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.63e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N,N-dibutyl{[(dibutylcarbamothioyl)sulfanyl]methyl}sulfanylcarbothioamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Carbamodithioic acid, dibutyl-, methylene ester

> <CAS>
10254-57-6

> <SYNONYMS>
4,4'-methylene bis(dibutyldithiocarbamate)

$$$$