chempirical

2,4-Dichlorobenzenemethanethiol

C7H6Cl2SCAS 59293-67-3193.08 g/mol

Open in Covalent MOL file
HSClCl
Aryl halideThiol

Properties

Molecular formula
C7H6Cl2S
Molar mass
193.08 g/mol
Exact mass
191.9567 Da
Boiling point
151–152 °C (at 29 Torr)
logP
3.42Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
59293-67-3
SMILES
SCc1ccc(Cl)cc1Cl
InChIKey
ZSPXTTVUJDSRNJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanethiol, 2,4-dichloro-
  • α-Toluenethiol, 2,4-dichloro-
  • 2,4-Dichlorobenzyl mercaptan
  • 2,4-Dichlorobenzyl thiol
  • (2,4-Dichlorophenyl)methanethiol
  • NSC 33218

Work with 2,4-Dichlorobenzenemethanethiol

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

2,4-Dichlorobenzyl chloride94-99-561 % similar 2-Chlorobenzyl mercaptan39718-00-859 % similar 2,4-Dichlorobenzyl alcohol1777-82-859 % similar 2,4-Dichlorobenzyl bromide20443-99-659 % similar 2,4-Dichlorobenzenemethanamine95-00-159 % similar 2,4-Dichlorobenzeneacetonitrile6306-60-153 % similar 1,2,4-Trichlorobenzene120-82-150 % similar 2,4-Dichlorophenylacetic acid19719-28-949 % similar

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

Elsewhere

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