Mrv1572004191601132D          

  6  4  0  0  0  0            999 V2000
   -0.9900   -0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2475    0.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775    0.1429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600    0.8574    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600   -0.5716    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0171    0.0000    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
M  CHG  1   6   1
M  END
> <DATABASE_ID>
CHEM004197

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1

> <INCHI_KEY>
AFCCDDWKHLHPDF-UHFFFAOYSA-N

> <FORMULA>
C2H5NNaS2

> <MOLECULAR_WEIGHT>
130.18

> <EXACT_MASS>
129.97556221

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
10.630922549990961

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium N-methyl-1-sulfanylmethanimidothioic acid

> <ALOGPS_LOGP>
0.89

> <JCHEM_LOGP>
1.1547924609909581

> <ALOGPS_LOGS>
-1.92

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.4507876812808975

> <JCHEM_PKA_STRONGEST_ACIDIC>
-3.0169601517938824

> <JCHEM_PKA_STRONGEST_BASIC>
13.11356446755609

> <JCHEM_POLAR_SURFACE_AREA>
12.36

> <JCHEM_REFRACTIVITY>
29.279600000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.28e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodium N-methyl-1-sulfanylmethanimidothioic acid

> <JCHEM_VEBER_RULE>
1

> <NAME>
Metham sodium

> <CAS>
137-42-8

> <SYNONYMS>
Metam-sodium; Sodium methyldithiocarbamate

$$$$