chempirical

Pyridine-2-carbothioamide

C6H6N2SCAS 5346-38-3138.19 g/mol

Open in Covalent MOL file
HNHSN
Thiol

Properties

Molecular formula
C6H6N2S
Molar mass
138.19 g/mol
Exact mass
138.0252 Da
Melting point
137 °C
logP
1.34Crippen estimate
Polar surface area
36.7 Ų
H-bond donors / acceptors
2 / 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
5346-38-3
SMILES
N=C(S)c1ccccn1
InChIKey
HYKQYVSNFPWGKQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2S/c7-6(9)5-3-1-2-4-8-5/h1-4H,(H2,7,9)

Weigh it out

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Names and synonyms

12 names
  • 2-Pyridinecarbothioamide
  • Picolinamide, thio-
  • Picolinic acid thioamide
  • Picolinothioamide
  • Thiopicolinamide
  • Thio-2-pyridinecarboxamide
  • 2-Thiocarbamoylpyridine
  • 2-Thiopicolinamide
  • Pyridine-2-thioamide
  • NSC 1606
  • Pyridine-2-thiocarboxamide
  • Pyridine-2-carbothioic acid amide

Work with Pyridine-2-carbothioamide

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

2-Pyridinecarboxamide1452-77-353 % similar N-Hydroxypicolinimidamide1772-01-648 % similar Pyridine-2-carboximidamide hydrochloride51285-26-848 % similar 2-Pyridyl ketone19437-26-448 % similar 2,2′-Pyridil492-73-948 % similar Thiobenzamide2227-79-446 % similar Picolinohydrazide1452-63-744 % similar 1,3-Di(2-pyridyl)-1,3-propanedione10198-89-744 % similar

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

Same formula

2-Amino-5-methyl-3-thiophenecarbonitrile138564-58-6 4-Pyridinecarbothioamide2196-13-6 Thionicotinamide4621-66-3

Elsewhere

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