Mrv1572004221606362D          

 24 23  0  0  0  0            999 V2000
    2.3165    2.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9887   -0.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0203   -2.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3482   -0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1361    2.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8083   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2008   -2.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5286   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4639    1.4195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8730   -2.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0369   -0.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2835    1.3249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1196   -0.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0534   -1.9873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2173   -0.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4308    0.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060   -1.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6113    0.5678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7256   -1.2302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9226    1.1356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4143   -1.7980    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7587   -0.2839    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.5782   -0.3785    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
 19 13  1  0  0  0  0
 19 14  1  0  0  0  0
 19 17  1  0  0  0  0
 20 15  1  0  0  0  0
 20 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  2  0  0  0  0
 23 17  1  0  0  0  0
 24 18  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010489

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3

> <INCHI_KEY>
PGAXJQVAHDTGBB-UHFFFAOYSA-N

> <FORMULA>
C18H36N2S4

> <MOLECULAR_WEIGHT>
408.74

> <EXACT_MASS>
408.176133863

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
60

> <JCHEM_AVERAGE_POLARIZABILITY>
47.69409461223328

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N,N-dibutyl[(dibutylcarbamothioyl)disulfanyl]carbothioamide

> <ALOGPS_LOGP>
6.69

> <JCHEM_LOGP>
8.028123162

> <ALOGPS_LOGS>
-5.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
124.7352

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.91e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N,N-dibutyl(dibutylcarbamothioyl)disulfanylcarbothioamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrabutyl-

> <CAS>
1634-02-2

> <SYNONYMS>
Tetrabutylthiuram disulfide

$$$$