chempirical

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

C8H4ClF3N2SCAS 175135-18-9252.64 g/mol

Open in Covalent MOL file
FFFClNHSHN
Alkyl halideAryl halideThiol

Properties

Molecular formula
C8H4ClF3N2S
Molar mass
252.64 g/mol
Exact mass
251.9736 Da
logP
3.52Crippen estimate
Polar surface area
28.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
175135-18-9
SMILES
FC(F)(F)c1cc(Cl)c2[nH]c(S)nc2c1
InChIKey
HPLKCIAVCNSXLZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClF3N2S/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

3 names
  • 2H-Benzimidazole-2-thione, 4-chloro-1,3-dihydro-6-(trifluoromethyl)-
  • 4-Chloro-2-mercapto-6-trifluoromethylbenzimidazole
  • 7-Chloro-5-(trifluoromethyl)-1H-benzimidazole-2-thiol

Work with 4-Chloro-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-Bromo-1,3-dihydro-6-(trifluoromethyl)-2H-benzimidazole-2-thione175135-17-865 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-643 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-742 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-841 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-841 % similar [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine86398-94-940 % similar 1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]ethanone175205-88-639 % similar 3,4-Dichlorobenzotrifluoride328-84-738 % similar

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

Elsewhere

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