Mrv1572004191601192D          

  6  5  0  0  0  0            999 V2000
    0.8250    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
    0.8250    1.4289    0.0000 N   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
    1.2375    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  4  2  1  4  0  0  0
  5  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM004374

> <DATABASE_NAME>
chemdb

> <SMILES>
NNC(S)=NN

> <INCHI_IDENTIFIER>
InChI=1S/CH6N4S/c2-4-1(6)5-3/h2-3H2,(H2,4,5,6)

> <INCHI_KEY>
LJTFFORYSFGNCT-UHFFFAOYSA-N

> <FORMULA>
CH6N4S

> <MOLECULAR_WEIGHT>
106.15

> <EXACT_MASS>
106.031317383

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
9.837923992542963

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N,N'-diaminocarbamimidothioic acid

> <ALOGPS_LOGP>
-0.33

> <JCHEM_LOGP>
-0.5229997965076505

> <ALOGPS_LOGS>
-1.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
18.42608166447937

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.32232700998677

> <JCHEM_PKA_STRONGEST_BASIC>
6.429560815985426

> <JCHEM_POLAR_SURFACE_AREA>
76.43

> <JCHEM_REFRACTIVITY>
39.3744

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thiocarbohydrazide

> <JCHEM_VEBER_RULE>
0

> <NAME>
Thiocarbazide

> <CAS>
2231-57-4

> <SYNONYMS>
1,3-diaminothiourea

$$$$