2,4-Dichlorobenzenethiol

C₆H₄Cl₂SCAS 1122-41-4179.06 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: 20 °C
Boiling point: 115 °C (at 8 Torr)
logP: 3.28Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

1122-41-4

SMILES

Sc1ccc(Cl)cc1Cl

InChIKey

FGBVJFREPSJSNG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzenethiol, 2,4-dichloro-
2,4-Dichlorothiophenol

Work with 2,4-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

1,2,4-Trichlorobenzene120-82-157 % similar 2-Amino-4-chlorothiophenol1004-00-856 % similar 2-Chlorobenzenethiol6320-03-254 % similar 2,4,5-Trichlorobenzenethiol3773-14-650 % similar 2,4-Dichlorobenzenemethanethiol59293-67-348 % similar 1-Bromo-2,4-dichlorobenzene1193-72-248 % similar 2,4-Dichlorophenol120-83-248 % similar 2,4-Dichlorofluorobenzene1435-48-948 % similar

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

Same formula

3,5-Dichlorobenzenethiol17231-94-6 2,3-Dichlorobenzenethiol17231-95-7 2,6-Dichlorobenzenethiol24966-39-0 3,4-Dichlorobenzenethiol5858-17-3 2,5-Dichlorobenzenethiol5858-18-4

Elsewhere

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