4-Bromo-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione

C₈H₄BrF₃N₂SCAS 175135-17-8297.09 g/mol

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Alkyl halide Aryl halide Thiol

Properties

Molecular formula: C₈H₄BrF₃N₂S
Molar mass: 297.09 g/mol
Exact mass: 295.9231 Da
logP: 3.63Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

175135-17-8

SMILES

FC(F)(F)c1cc(Br)c2[nH]c(S)nc2c1

InChIKey

XUDUCQCVVBSDGY-UHFFFAOYSA-N

InChI

InChI=1S/C8H4BrF3N2S/c9-4-1-3(8(10,11)12)2-5-6(4)14-7(15)13-5/h1-2H,(H2,13,14,15)

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Names and synonyms

1 names

2H-Benzimidazole-2-thione, 4-bromo-1,3-dihydro-6-(trifluoromethyl)-

Work with 4-Bromo-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione

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-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione175135-18-965 % similar 7-Bromo-5-(trifluoromethyl)-1H-benzimidazole-2-propanol175135-16-757 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-738 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-237 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-435 % similar 2-Bromo-4-trifluoromethylaniline57946-63-135 % similar 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-935 % similar 3,5-Bis(trifluoromethyl)benzenethiol130783-02-734 % similar

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

Elsewhere

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