chempirical

Triclabendazole

C14H9Cl3N2OSCAS 68786-66-3359.65 g/mol

Open in Covalent MOL file
SNOClClClHN
Aryl halideEtherSulfide

Properties

Molecular formula
C14H9Cl3N2OS
Molar mass
359.65 g/mol
Exact mass
357.9501 Da
Melting point
176–178 °C
logP
6.04Crippen estimate
Polar surface area
37.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Identifiers

CAS number
68786-66-3
SMILES
CSc1nc2cc(Oc3cccc(Cl)c3Cl)c(Cl)cc2[nH]1
InChIKey
NQPDXQQQCQDHHW-UHFFFAOYSA-N
InChI
InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-Benzimidazole, 6-chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-
  • 1H-Benzimidazole, 5-chloro-6-(2,3-dichlorophenoxy)-2-(methylthio)-
  • 6-Chloro-5-(2,3-dichlorophenoxy)-2-(methylthio)-1H-benzimidazole
  • 5-Chloro-6-(2,3-dichlorophenoxy)-2-methylthiobenzimidazole
  • CGA 89317
  • 5-Chloro-6-(2′,3′-dichlorophenoxy)-2-(methylthio)benzimidazole
  • Fasinex
  • Egaten

Work with Triclabendazole

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-(Methylthio)benzimidazole7152-24-143 % similar 2,3-Dichloroanisole1984-59-437 % similar 6-Chloro-2-(methylthio)pyrimidin-4-amine1005-38-533 % similar 2,3-Dichlorophenoxyacetic acid2976-74-131 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook