Mrv1572004191601132D          

  7  5  0  0  0  0            999 V2000
   -0.2063    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2062    0.3572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2063   -1.0717    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0312   -0.3572    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3884    0.0000    0.0000 Na  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  1   7   1
M  END
> <DATABASE_ID>
CHEM004186

> <DATABASE_NAME>
chemdb

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

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

> <INCHI_KEY>
VMSRVIHUFHQIAL-UHFFFAOYSA-N

> <FORMULA>
C3H7NNaS2

> <MOLECULAR_WEIGHT>
144.21

> <EXACT_MASS>
143.99121228

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
12.519470207353642

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium dimethyl[sulfanyl(carbonothioyl)]amine

> <ALOGPS_LOGP>
1.58

> <JCHEM_LOGP>
1.2938448206666664

> <ALOGPS_LOGS>
-2.45

> <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>
35.5185

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.35e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium dimethyl[sulfanyl(carbonothioyl)]amine

> <JCHEM_VEBER_RULE>
1

> <NAME>
Sodium dimethyldithiocarbamate

> <CAS>
128-04-1

> <SYNONYMS>
Dimethyldithiocarbamic acid, sodium salt

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