chempirical

4-Bromo-6-(trifluoromethyl)benzimidazole-2-thiol

C8H4BrF3N2SCAS 175135-17-8297.09 g/mol

Open in Covalent MOL file
FFFBrNHSHN
Alkyl halideAryl halideThiol

Properties

Molecular formula
C8H4BrF3N2S
Molar mass
297.09 g/mol
Exact mass
295.9231 Da
logP
3.63Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
2 / 2
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
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)

Weigh it out

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Names and synonyms

2 names
  • 4-Bromo-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione
  • 2H-Benzimidazole-2-thione, 4-bromo-1,3-dihydro-6-(trifluoromethyl)-

Work with 4-Bromo-6-(trifluoromethyl)benzimidazole-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

4-Chloro-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione175135-18-965 % similar 3-[4-Bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-1-ol175135-16-757 % similar 4-Amino-3,5-dibromobenzotrifluoride72678-19-441 % similar 4-Bromo-6-(trifluoromethyl)-1H-benzimidazole175135-14-540 % similar 2,3-Dibromo-5-(trifluoromethyl)pyridine79623-38-438 % similar 4-Bromo-6-(trifluoromethyl)-1H-indole1000342-93-738 % similar 3-Bromo-2-fluoro-5-(trifluoromethyl)pyridine1031929-01-737 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-237 % similar

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

Elsewhere

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