chempirical

Flubenzimine

C17H10F6N4SCAS 37893-02-0416.35 g/mol

Open in Covalent MOL file
FFFNSNNNFFF
Alkyl halideAmidineSulfide

Properties

Molecular formula
C17H10F6N4S
Molar mass
416.35 g/mol
Exact mass
416.0530 Da
Melting point
118 °C
logP
5.76Crippen estimate
Polar surface area
40.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
37893-02-0
SMILES
FC(F)(F)N=C1SC(=Nc2ccccc2)N(c2ccccc2)C1=NC(F)(F)F
InChIKey
IZFZCMFMJKDHJZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H

Weigh it out

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

Names and synonyms

4 names
  • Benzenamine, N-[3-phenyl-4,5-bis[(trifluoromethyl)imino]-2-thiazolidinylidene]-
  • N-[3-Phenyl-4,5-bis[(trifluoromethyl)imino]-2-thiazolidinylidene]benzenamine
  • Cropotex
  • SLJ 0312

Work with Flubenzimine

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-Phenyl-1,2,4-triazole-3,5-dione4233-33-432 % similar Phenylcarbylamine chloride622-44-631 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook