2,3-Dichlorobenzenethiol

C₆H₄Cl₂SCAS 17231-95-7179.06 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: 46.5 °C
logP: 3.28Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.8% of notifiers
H315 Causes skin irritation15.2% of notifiers
H318 Causes serious eye damage84.8% of notifiers
H319 Causes serious eye irritation15.2% of notifiers
H335 May cause respiratory irritation13% of notifiers

Aggregated from 46 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17231-95-7

SMILES

Sc1cccc(Cl)c1Cl

InChIKey

QGRKONUHHGBHRB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzenethiol, 2,3-dichloro-
2,3-Dichlorothiophenol

Work with 2,3-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

2-Chlorobenzenethiol6320-03-264 % similar 1,2,3-Trichlorobenzene87-61-660 % similar 1-Bromo-2,3-dichlorobenzene56961-77-448 % similar 1,2,3,4-Tetrachlorobenzene634-66-248 % similar 1,2-Dichloro-3-iodobenzene2401-21-046 % similar 2,3-Dichlorotoluene32768-54-046 % similar 1,2-Dichloro-3-fluorobenzene36556-50-046 % similar 2,3-Dichlorophenol576-24-946 % 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 2,6-Dichlorobenzenethiol24966-39-0 3,4-Dichlorobenzenethiol5858-17-3 2,5-Dichlorobenzenethiol5858-18-4

Elsewhere

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