Mrv0541 02241219182D          

 12  9  0  0  0  0            999 V2000
   -0.2062    0.2472    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2062    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4528    1.4847    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9483    1.4847    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903    1.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903    0.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3505   -0.1653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0937   -1.4028    0.0000 S   0  5  0  0  0  0  0  0  0  0  0  0
   -2.3505   -0.9903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903   -1.4028    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5255   -1.4847    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    3.0937    0.2472    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
M  CHG  4   3  -1   8  -1  11   1  12   1
M  END
> <DATABASE_ID>
CHEM004204

> <DATABASE_NAME>
chemdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2

> <INCHI_KEY>
UQJQVUOTMVCFHX-UHFFFAOYSA-L

> <FORMULA>
C4H6N2Na2S4

> <MOLECULAR_WEIGHT>
256.343

> <EXACT_MASS>
255.920920312

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
20.938206291861682

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
disodium ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide

> <ALOGPS_LOGP>
0.59

> <JCHEM_LOGP>
1.9688125666666665

> <ALOGPS_LOGS>
-3.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
2.3376019688627485

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7354489553978434

> <JCHEM_POLAR_SURFACE_AREA>
24.06

> <JCHEM_REFRACTIVITY>
60.75899999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
disodium ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Nabam

> <CAS>
142-59-6

> <SYNONYMS>
disodium ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide; DISODIUM ETHYLENEBISDITHIOCARBAMATE; Nabam-sodium

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