3,5-Dichlorobenzenethiol

C₆H₄Cl₂SCAS 17231-94-6179.06 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: 63.5 °C
Boiling point: 114 °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

17231-94-6

SMILES

Sc1cc(Cl)cc(Cl)c1

InChIKey

WRXIPCQPHZMXOO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzenethiol, 3,5-dichloro-
3,5-Dichlorothiophenol
3,5-Dichlorobenzene-1-thiol

Work with 3,5-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

1,3,5-Trichlorobenzene108-70-360 % similar 3-Chlorothiophenol2037-31-257 % similar 4-Chlorobenzenethiol106-54-750 % similar 1,3-Dichloro-5-fluorobenzene1435-46-743 % similar Bromo-3,5-dichlorobenzene19752-55-743 % similar 1,3-Dichloro-5-iodobenzene3032-81-343 % similar 3,5-Dichlorophenol591-35-543 % similar 3,5-Dichloroaniline626-43-743 % similar

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

Same formula

2,4-Dichlorobenzenethiol1122-41-4 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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