2-(Trifluoromethylthio)benzyl bromide

C₈H₆BrF₃SCAS 238403-52-6271.10 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₈H₆BrF₃S
Molar mass: 271.10 g/mol
Exact mass: 269.9326 Da
logP: 4.19Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

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

238403-52-6

SMILES

C1=CC=C(C(=C1)CBr)SC(F)(F)F

InChIKey

ZSBCQBRVNBLWAW-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrF3S/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2

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Names and synonyms

1 names

2-((Trifluoromethyl)thio)benzyl bromide

Work with 2-(Trifluoromethylthio)benzyl bromide

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-[(Trifluoromethyl)thio]benzenamine347-55-753 % similar 2-Trifluoromethylbenzyl bromide395-44-848 % similar Xylylene dibromide91-13-448 % similar 2-(Trifluoromethoxy)benzyl bromide198649-68-244 % similar 2-(Trifluoromethylthio)benzaldehyde57830-48-544 % similar 2-Fluorobenzyl bromide446-48-044 % similar 2-Bromobenzyl bromide3433-80-542 % similar [(Trifluoromethyl)thio]benzene456-56-442 % similar

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

Same formula

1-(Bromomethyl)-4-[(trifluoromethyl)thio]benzene21101-63-3

Elsewhere

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