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

C₉H₁₁ClFNSCAS 175136-76-2219.70 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Sulfide

Properties

Molecular formula: C₉H₁₁ClFNS
Molar mass: 219.70 g/mol
Exact mass: 219.0285 Da
logP: 2.67Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501

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-fluorobenzylthiol170924-52-449 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-949 % similar 2-Chloro-6-fluorobenzyl bromide68220-26-849 % similar 2-(2-Chloro-6-fluorophenyl)ethanol214262-86-946 % similar 2,6-Dichlorophenethylamine14573-23-046 % similar N,N-Bis(2-chloro-6-fluorobenzyl)hydroxylamine175136-75-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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