Mrv1718007031811082D          

 11 10  0  0  0  0            999 V2000
   -2.1434    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    1.0312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    1.0312    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2062    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  0  0  0  0
  7  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  3  1  0  0  0  0
  8  4  1  0  0  0  0
  8  6  1  0  0  0  0
  9  5  2  0  0  0  0
 10  6  2  0  0  0  0
 11  5  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
> <DATABASE_ID>
DB14178

> <DATABASE_NAME>
drugbank

> <SMILES>
CN(C)C(=S)SC(=S)N(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C6H12N2S3/c1-7(2)5(9)11-6(10)8(3)4/h1-4H3

> <INCHI_KEY>
REQPQFUJGGOFQL-UHFFFAOYSA-N

> <FORMULA>
C6H12N2S3

> <MOLECULAR_WEIGHT>
208.36

> <EXACT_MASS>
208.016261916

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
21.644086696768774

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,N-dimethyl[(dimethylcarbamothioyl)sulfanyl]carbothioamide

> <ALOGPS_LOGP>
1.32

> <JCHEM_LOGP>
2.1381285596666664

> <ALOGPS_LOGS>
-3.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
6.48

> <JCHEM_REFRACTIVITY>
61.4473

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.83e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
monex

> <JCHEM_VEBER_RULE>
1

> <DRUGBANK_ID>
DB14178

> <DRUG_GROUPS>
approved; experimental

> <GENERIC_NAME>
Tetramethylthiuram monosulfide

> <SYNONYMS>
Bis(dimethylthiocarbamoyl) sulfide; TMTM; TMTMS

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

$$$$