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

C₇H₄ClF₃N₂SCAS 175277-46-0240.63 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Thiol

Properties

Molecular formula: C₇H₄ClF₃N₂S
Molar mass: 240.63 g/mol
Exact mass: 239.9736 Da
logP: 3.01Crippen estimate
Polar surface area: 36.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

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

2,3-Dichloro-5-(trifluoromethyl)pyridine69045-84-753 % similar Ethyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate128073-16-550 % similar 3-Chloro-5-(trifluoromethyl)-2-pyridinamine79456-26-150 % similar 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine132834-59-442 % similar 2,3-Difluoro-5-(trifluoromethyl)pyridine89402-42-640 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-639 % similar 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethanone175205-88-639 % similar Chlorthiamide1918-13-438 % similar

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

Elsewhere

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