2-Mercapto-5-(trifluoromethyl)pyridine

C₆H₄F₃NSCAS 76041-72-0179.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄F₃NS
Molar mass: 179.16 g/mol
Exact mass: 179.0017 Da
logP: 2.76Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

76041-72-0

SMILES

C1=CC(=S)NC=C1C(F)(F)F

InChIKey

YFSCXLSUZZXNHW-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2(1H)-Pyridinethione, 5-(trifluoromethyl)-

Work with 2-Mercapto-5-(trifluoromethyl)pyridine

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-Hydroxy-5-trifluoromethylpyridine33252-63-053 % similar 1,4-Bis(trifluoromethyl)benzene433-19-246 % similar 1-(4-Trifluoromethylphenyl)imidazoline-2-thione17452-18-543 % similar 3-Chloro-5-(trifluoromethyl)pyridine-2-thiol76041-74-243 % similar 4-(Trifluoromethyl)phenol402-45-941 % similar 7-(Trifluoromethyl)quinoline-4-thiol64415-07-239 % similar 4-Fluorobenzotrifluoride402-44-838 % similar 5-(Trifluoromethyl)-1H-indole100846-24-037 % similar

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

Same formula

3-(Trifluoromethyl)pyridine-2-thiol104040-74-6

Elsewhere

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