Mrv1572004191603002D          

  7  7  0  0  0  0            999 V2000
    0.9803   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4652   -0.8227    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  4  1  1  0  0  0  0
  4  2  2  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM010536

> <DATABASE_NAME>
chemdb

> <SMILES>
SC1=NC(=N)NN1

> <INCHI_IDENTIFIER>
InChI=1S/C2H4N4S/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)

> <INCHI_KEY>
WZUUZPAYWFIBDF-UHFFFAOYSA-N

> <FORMULA>
C2H4N4S

> <MOLECULAR_WEIGHT>
116.14

> <EXACT_MASS>
116.015667319

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
10.45248861674424

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-imino-2,5-dihydro-1H-1,2,4-triazole-3-thiol

> <ALOGPS_LOGP>
-0.75

> <JCHEM_LOGP>
-0.06395545966666678

> <ALOGPS_LOGS>
-1.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.44717566308876

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.7067342368432

> <JCHEM_PKA_STRONGEST_BASIC>
2.73136329170396

> <JCHEM_POLAR_SURFACE_AREA>
60.27

> <JCHEM_REFRACTIVITY>
60.13570000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.41e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-imino-1,2-dihydro-1,2,4-triazole-3-thiol

> <JCHEM_VEBER_RULE>
0

> <NAME>
3H-1,2,4-Triazole-3-thione, 5-amino-1,2-dihydro-

> <CAS>
16691-43-3

> <SYNONYMS>
5-Amino-1,2-dihydro-3H-1,2,4-triazole-3-thione; 5-amino-2,3-dihydro-1H-1,2,4-triazole-3-thione

$$$$