chempirical

4-Pyridinecarbothioamide

C6H6N2SCAS 2196-13-6138.19 g/mol

Open in Covalent MOL file
H2NSN

Properties

Molecular formula
C6H6N2S
Molar mass
138.19 g/mol
Exact mass
138.0252 Da
Melting point
210 °C
logP
0.72Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
2196-13-6
SMILES
NC(=S)c1ccncc1
InChIKey
KPIIGXWUNXGGCP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2S/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Isonicotinamide, thio-
  • Isonicotinic acid thioamide
  • Thioisonicotinamide
  • Thio-4-pyridinecarboxamide
  • Isothionicotinamide
  • 4-Pyridylthiocarboxamide
  • 4-Pyridinethiocarboxamide
  • NSC 1607
  • 4-(Aminothiocarbonyl)pyridine
  • 4-Pyridinethioamide

Work with 4-Pyridinecarbothioamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Aminobenzenecarbothioamide4714-67-454 % similar 4-Fluorothiobenzamide22179-72-252 % similar 4-Methylbenzenecarbothioamide2362-62-152 % similar 4-Chlorothiobenzamide2521-24-652 % similar 4-Hydroxythiobenzamide25984-63-852 % similar 4-Bromothiobenzamide26197-93-352 % similar Isonicotinamide1453-82-350 % similar 4-(Trifluoromethyl)benzenecarbothioamide72505-21-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Amino-5-methyl-3-thiophenecarbonitrile138564-58-6 Thionicotinamide4621-66-3 Pyridine-2-carbothioamide5346-38-3

Elsewhere

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