2,6-Dichlorobenzenethiol

C₆H₄Cl₂SCAS 24966-39-0179.06 g/mol

Open in Covalent MOL file

Aryl halide Thiol

Properties

Molecular formula: C₆H₄Cl₂S
Molar mass: 179.06 g/mol
Exact mass: 177.9411 Da
Melting point: 166–168 °C
logP: 3.28Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

24966-39-0

SMILES

Sc1c(Cl)cccc1Cl

InChIKey

JBISHCXLCGVPGW-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H

Weigh it out

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

Names and synonyms

4 names

Benzenethiol, 2,6-dichloro-
2,6-Dichlorothiophenol
2,6-Dichlorophenylthiol
2,6-Dichlorobenzene-1-thiol

Work with 2,6-Dichlorobenzenethiol

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-Dichlorobenzene95-50-153 % similar 2-Chlorobenzenethiol6320-03-252 % similar 1,2,3-Trichlorobenzene87-61-647 % similar 2,6-Dichlorobenzaldehyde83-38-543 % similar 2,6-Dichlorotoluene118-69-443 % similar 1,3-Dichloro-2-iodobenzene19230-28-543 % similar 2-Bromo-1,3-dichlorobenzene19393-92-143 % similar 1,3-Dichloro-2-fluorobenzene2268-05-543 % similar

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

Same formula

2,4-Dichlorobenzenethiol1122-41-4 3,5-Dichlorobenzenethiol17231-94-6 2,3-Dichlorobenzenethiol17231-95-7 3,4-Dichlorobenzenethiol5858-17-3 2,5-Dichlorobenzenethiol5858-18-4

Elsewhere

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