2-Chloro-4-fluorothiophenol

C₆H₄ClFSCAS 175277-99-3162.61 g/mol

Open in Covalent MOL file

Aryl halide Thiol

Properties

Molecular formula: C₆H₄ClFS
Molar mass: 162.61 g/mol
Exact mass: 161.9706 Da
logP: 2.77Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175277-99-3

SMILES

C1=CC(=C(C=C1F)Cl)S

InChIKey

KUAPPJSILOMQPC-UHFFFAOYSA-N

InChI

InChI=1S/C6H4ClFS/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

Weigh it out

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

Work with 2-Chloro-4-fluorothiophenol

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

1,2-Dichloro-4-fluorobenzene1435-49-060 % similar 2,4-Dichlorobenzenethiol1122-41-456 % similar 2,4-Difluorobenzenethiol1996-44-756 % similar 1-Chloro-2,5-difluorobenzene2367-91-156 % similar 2-Chloro-4-fluoro-1-iodobenzene101335-11-952 % similar 1-Bromo-2-chloro-4-fluorobenzene110407-59-552 % similar 2-Chloro-4-fluorophenol1996-41-452 % similar 2-Chloro-4-fluorobenzenamine2106-02-752 % similar

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

Same formula

3-Chloro-4-fluorobenzenethiol60811-23-6

Elsewhere

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