Mrv0541 02241204582D          

  4  3  0  0  0  0            999 V2000
    2.0625   -0.7145    0.0000 Na  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  3  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012700

> <DATABASE_NAME>
chemdb

> <SMILES>
[Na]SC#N

> <INCHI_IDENTIFIER>
InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1

> <INCHI_KEY>
VGTPCRGMBIAPIM-UHFFFAOYSA-M

> <FORMULA>
CNNaS

> <MOLECULAR_WEIGHT>
81.072

> <EXACT_MASS>
80.96491437

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
6.590494130785169

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(sodiosulfanyl)carbonitrile

> <ALOGPS_LOGP>
0.18

> <JCHEM_LOGP>
-0.9953999999999998

> <ALOGPS_LOGS>
-0.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
23.79

> <JCHEM_REFRACTIVITY>
14.449100000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.39e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
sodiosulfanylcarbonitrile

> <JCHEM_VEBER_RULE>
1

> <NAME>
Sodium thiocyanate

> <CAS>
540-72-7

> <SYNONYMS>
sodium cyanosulfanide

$$$$