Mrv1572004191601132D          

  7  5  0  0  0  0            999 V2000
    2.8875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
M  CHG  2   6  -1   7   1
M  END
> <DATABASE_ID>
CHEM004185

> <DATABASE_NAME>
chemdb

> <SMILES>
[K+].CN(C)C([S-])=S

> <INCHI_IDENTIFIER>
InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1

> <INCHI_KEY>
TVPFLPJBESCUKI-UHFFFAOYSA-M

> <FORMULA>
C3H6KNS2

> <MOLECULAR_WEIGHT>
159.31

> <EXACT_MASS>
158.95787304

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
12.32651526862811

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
potassium (dimethylcarbamothioyl)sulfanide

> <ALOGPS_LOGP>
0.59

> <JCHEM_LOGP>
1.2938448206666664

> <ALOGPS_LOGS>
-1.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.014062646396084

> <JCHEM_POLAR_SURFACE_AREA>
3.24

> <JCHEM_REFRACTIVITY>
36.2607

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.82e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
potassium (dimethylcarbamothioyl)sulfanide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Potassium dimethyldithiocarbamate

> <CAS>
128-03-0

> <SYNONYMS>
Carbamodithioic acid, dimethyl-, potassium salt

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