chempirical

3-Chloro-5-(trifluoromethyl)pyridine-2-thiol

C6H3ClF3NSCAS 76041-74-2213.60 g/mol

Open in Covalent MOL file
SNHFFFCl
Alkyl halideAryl halide

Properties

Molecular formula
C6H3ClF3NS
Molar mass
213.60 g/mol
Exact mass
212.9627 Da
logP
3.42Crippen estimate
Polar surface area
15.8 Ų
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
76041-74-2
SMILES
C1=C(C(=S)NC=C1C(F)(F)F)Cl
InChIKey
TZCNTBWWNBGRFJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClF3NS/c7-4-1-3(6(8,9)10)2-11-5(4)12/h1-2H,(H,11,12)

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

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-2-hydroxy-5-(trifluoromethyl)pyridine76041-71-959 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-647 % similar 3,4-Dichlorobenzotrifluoride328-84-745 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-745 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-344 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-844 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-844 % similar 2-Mercapto-5-(trifluoromethyl)pyridine76041-72-043 % similar

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

Elsewhere

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