chempirical

2,3-Dichlorobenzenethiol

C6H4Cl2SCAS 17231-95-7179.06 g/mol

Open in Covalent MOL file
HSClCl
Aryl halideThiol

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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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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