2-Chloro-6-fluorobenzylthiol

C₇H₆ClFSCAS 170924-52-4176.63 g/mol

Open in Covalent MOL file

Aryl halide Thiol

Properties

Molecular formula: C₇H₆ClFS
Molar mass: 176.63 g/mol
Exact mass: 175.9863 Da
logP: 2.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% 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

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

170924-52-4

SMILES

C1=CC(=C(C(=C1)Cl)CS)F

InChIKey

TXFPTJWQPHMUEF-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClFS/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2

Weigh it out

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Names and synonyms

1 names

(2-Chloro-6-fluorophenyl)methanethiol

Work with 2-Chloro-6-fluorobenzylthiol

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-fluorobenzyl chloride55117-15-262 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-960 % similar 2-Chloro-6-fluorobenzenemethanol56456-50-960 % similar 2-Chloro-6-fluorobenzyl bromide68220-26-860 % similar 2-(2-Chloro-6-fluorophenyl)ethanol214262-86-956 % similar N,N-Bis(2-chloro-6-fluorobenzyl)hydroxylamine175136-75-155 % similar 2-Chloro-6-fluorobenzeneacetonitrile75279-55-955 % similar 1-Chloro-2-fluorobenzene348-51-652 % similar

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

Elsewhere

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