3-Chloro-5-(trifluoromethyl)-2-pyridinecarbothioamide

C7H4ClF3N2SCAS 175277-46-0240.63 g/mol

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HNHSNFFFCl
Alkyl halideAryl halideThiol

Properties

Molecular formula
C7H4ClF3N2S
Molar mass
240.63 g/mol
Exact mass
239.9736 Da
logP
3.01Crippen 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.

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Identifiers

CAS number
175277-46-0
SMILES
N=C(S)c1ncc(C(F)(F)F)cc1Cl
InChIKey
CPVWNBFVUZXXRY-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClF3N2S/c8-4-1-3(7(9,10)11)2-13-5(4)6(12)14/h1-2H,(H2,12,14)

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Names and synonyms

1 names
  • 2-Pyridinecarbothioamide, 3-chloro-5-(trifluoromethyl)-

Work with 3-Chloro-5-(trifluoromethyl)-2-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

3-Chloro-5-(trifluoromethyl)pyridine-2-carboxylic acid80194-68-961 % similar Methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate655235-65-753 % similar 2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-753 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)pyridine72537-17-851 % similar 2-Bromo-3-chloro-5-(trifluoromethyl)pyridine75806-84-751 % similar Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-550 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-150 % similar 3-Chloro-2-hydrazinyl-5-(trifluoromethyl)pyridine89570-82-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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