Mrv1572004221604212D          

  6  5  0  0  0  0            999 V2000
   -0.4125   -0.7145    0.0000 C   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
    0.8250    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  1  4  0  0  0
  4  2  2  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM017930

> <DATABASE_NAME>
chemdb

> <SMILES>
CN=C(S)NN

> <INCHI_IDENTIFIER>
InChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)

> <INCHI_KEY>
PTVZQOAHCSKAAS-UHFFFAOYSA-N

> <FORMULA>
C2H7N3S

> <MOLECULAR_WEIGHT>
105.16

> <EXACT_MASS>
105.036068411

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
10.510923332449611

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-amino-N'-methylcarbamimidothioic acid

> <ALOGPS_LOGP>
-0.16

> <JCHEM_LOGP>
0.6600306444937021

> <ALOGPS_LOGS>
-1.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.0718973738574564

> <JCHEM_PKA_STRONGEST_BASIC>
14.09702999745111

> <JCHEM_POLAR_SURFACE_AREA>
50.41

> <JCHEM_REFRACTIVITY>
39.787000000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.78e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-amino-N'-methylcarbamimidothioic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
N-Methylhydrazinecarbothioamide

> <CAS>
6610-29-3

> <SYNONYMS>
3-amino-1-methylthiourea; 4-methylthiosemicarbazide

> <TYPES>
PMT

$$$$