Mrv1718006291818512D          

 18 19  0  0  0  0            999 V2000
   -0.3551   -0.2045    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3560    0.2059    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -0.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    0.2059    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -1.0297    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0701    0.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -0.2045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0701    1.0310    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4979    0.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2110   -0.1951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2174   -1.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5044   -1.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7852   -1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4980   -0.2119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2110    0.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    1.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5044    1.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7853    1.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  5  2  0  0  0  0
  2  3  1  0  0  0  0
  1  6  1  0  0  0  0
  1  2  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  4 14  1  0  0  0  0
  6  7  1  0  0  0  0
  3  4  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
  4 18  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14174

> <DATABASE_NAME>
drugbank

> <SMILES>
S=C(SSC(=S)N1CCCCC1)N1CCCCC1

> <INCHI_IDENTIFIER>
InChI=1S/C12H20N2S4/c15-11(13-7-3-1-4-8-13)17-18-12(16)14-9-5-2-6-10-14/h1-10H2

> <INCHI_KEY>
KNBRWWCHBRQLNY-UHFFFAOYSA-N

> <FORMULA>
C12H20N2S4

> <MOLECULAR_WEIGHT>
320.55

> <EXACT_MASS>
320.050933348

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
34.384574674098374

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
piperidine-1-carbothioylsulfanyl piperidine-1-carbodithioate

> <ALOGPS_LOGP>
3.78

> <JCHEM_LOGP>
4.4332593666666655

> <ALOGPS_LOGS>
-4.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
93.52479999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.77e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dipentamethylenethiuram disulfide

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14174

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Dipentamethylenethiuram disulfide

> <SYNONYMS>
1-Piperidinethiocarbonyl disulfide; 1,1'-(Dithiodicarbonothioyl)bispiperidine; Bis(1-piperidylthiocarbonyl) disulfide; Bis(1-piperidylthiocarbonyl)disulfide; Bis(pentamethylene)thiuram disulfide; Bis(piperidinothiocarbonyl)disulfide

> <PRODUCTS>
T.R.U.E. Test Thin-Layer Rapid Use Patch Test

$$$$