Structure #1
  Mrv0541 02241207302D          

  5  3  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8250    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6518    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
M  CHG  2   3  -1   5   1
M  END
> <DATABASE_ID>
CHEM008481

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na+].SC([S-])=N

> <INCHI_IDENTIFIER>
InChI=1S/CH3NS2.Na/c2-1(3)4;/h(H3,2,3,4);/q;+1/p-1

> <INCHI_KEY>
GWQWBFBJCRDINE-UHFFFAOYSA-M

> <FORMULA>
CH2NNaS2

> <MOLECULAR_WEIGHT>
115.153

> <EXACT_MASS>
114.952635124

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
8.338506098361453

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium [thio(carbonoimidyl)]sulfanide

> <ALOGPS_LOGP>
0.48

> <JCHEM_LOGP>
0.9309340677044315

> <ALOGPS_LOGS>
-1.51

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.33982834369862

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.3758405633011916

> <JCHEM_PKA_STRONGEST_BASIC>
13.697223363933013

> <JCHEM_POLAR_SURFACE_AREA>
23.85

> <JCHEM_REFRACTIVITY>
35.54

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.59e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium [thio(carbonoimidyl)]sulfanide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Modified dithiocarbamate (generic)

> <CAS>
238756

> <SYNONYMS>
Dialkyl dithiocarbamate esters (generic); Polyamine dithiocarbamate

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