chempirical

2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethanamine

C9H11ClFNSCAS 175136-76-2219.70 g/mol

Open in Covalent MOL file
H2NSFCl
Aryl halidePrimary amineSulfide

Properties

Molecular formula
C9H11ClFNS
Molar mass
219.70 g/mol
Exact mass
219.0285 Da
logP
2.67Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Identifiers

CAS number
175136-76-2
SMILES
NCCSCc1c(F)cccc1Cl
InChIKey
KNNHPOGBBNRNDH-UHFFFAOYSA-N
InChI
InChI=1S/C9H11ClFNS/c10-8-2-1-3-9(11)7(8)6-13-5-4-12/h1-3H,4-6,12H2

Weigh it out

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

Names and synonyms

6 names
  • Ethanamine, 2-[[(2-chloro-6-fluorophenyl)methyl]thio]-
  • 2-(2-Chloro-6-fluorobenzylthio)ethylamine
  • 2-((2-Chloro-6-fluorobenzyl)thio)ethanamine
  • 2-(2-Chloro-6-fluoro-benzylsulfanyl)-ethylamine
  • 2-[[(2-Chloro-6-fluorophenyl)methyl]sulfanyl]ethan-1-amine
  • 2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]ethanamine

Work with 2-[[(2-Chloro-6-fluorophenyl)methyl]thio]ethanamine

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-Chloro-6-fluorobenzenemethanamine15205-15-957 % similar 2-Chloro-6-fluorobenzyl chloride55117-15-250 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-949 % similar 2-Chloro-6-fluorobenzeneacetonitrile75279-55-945 % similar 2,6-Difluorobenzylamine69385-30-443 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-742 % similar 1-Chloro-2-fluorobenzene348-51-641 % similar 2-Chloro-6-fluoroaniline363-51-941 % similar

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

Elsewhere

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