4-[5-(Trifluoromethyl)pyrid-2-yloxy]thiobenzamide

C₁₃H₉F₃N₂OSCAS 175277-02-8298.28 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₃H₉F₃N₂OS
Molar mass: 298.28 g/mol
Exact mass: 298.0388 Da
logP: 3.53Crippen estimate
Polar surface area: 48.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175277-02-8

SMILES

C1=CC(=CC=C1C(=S)N)OC2=NC=C(C=C2)C(F)(F)F

InChIKey

FGJWEIQVLMFFOC-UHFFFAOYSA-N

InChI

InChI=1S/C13H9F3N2OS/c14-13(15,16)9-3-6-11(18-7-9)19-10-4-1-8(2-5-10)12(17)20/h1-7H,(H2,17,20)

Weigh it out

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Work with 4-[5-(Trifluoromethyl)pyrid-2-yloxy]thiobenzamide

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

4-(Trifluoromethyl)benzenecarbothioamide72505-21-658 % similar 4-((5-(Trifluoromethyl)pyridin-2-yl)oxy)benzonitrile175277-01-757 % similar 2-Methoxy-5-(trifluoromethyl)pyridine175277-45-947 % similar Fluazifop-P-butyl79241-46-644 % similar 3-(Trifluoromethyl)thiobenzamide53515-17-642 % similar 4-Methoxybenzenecarbothioamide2362-64-342 % similar 4-(1,1-Dimethylethyl)benzenecarbothioamide57774-77-342 % similar 5-Amino-2-(4-tert-butylphenoxy)pyridine218457-67-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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