Mrv1572004191601072D          

  4  3  0  0  0  0            999 V2000
    1.2375    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
    1.2375   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM003982

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(S)=N

> <INCHI_IDENTIFIER>
InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)

> <INCHI_KEY>
YUKQRDCYNOVPGJ-UHFFFAOYSA-N

> <FORMULA>
C2H5NS

> <MOLECULAR_WEIGHT>
75.13

> <EXACT_MASS>
75.014270339

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
7.7004989056003

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
ethanimidothioic acid

> <ALOGPS_LOGP>
0.66

> <JCHEM_LOGP>
-0.05564122652911933

> <ALOGPS_LOGS>
-1.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3285836400588455

> <JCHEM_PKA_STRONGEST_BASIC>
12.171222064838476

> <JCHEM_POLAR_SURFACE_AREA>
23.85

> <JCHEM_REFRACTIVITY>
31.529500000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.06e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
thioacetamide

> <JCHEM_VEBER_RULE>
1

> <NAME>
Thioacetamide

> <CAS>
62-55-5

> <SYNONYMS>
Ethanethioamide

$$$$