chempirical

2-Bromothiophenol

C6H5BrSCAS 6320-02-1189.07 g/mol

Open in Covalent MOL file
HSBr
Aryl halideThiol

Properties

Molecular formula
C6H5BrS
Molar mass
189.07 g/mol
Exact mass
187.9295 Da
Melting point
220–222 °C
Boiling point
95–96 °C
logP
2.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
6320-02-1
SMILES
Sc1ccccc1Br
InChIKey
YUQUNWNSQDULTI-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrS/c7-5-3-1-2-4-6(5)8/h1-4,8H

Weigh it out

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

Names and synonyms

8 names
  • Benzenethiol, 2-bromo-
  • Benzenethiol, o-bromo-
  • 2-Bromobenzenethiol
  • o-Bromobenzenethiol
  • o-Bromothiophenol
  • NSC 32016
  • 2-Bromophenylthiol
  • 2-Bromobenzene-1-thiol

Work with 2-Bromothiophenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dibromobenzene583-53-953 % similar 2,2′-Dibromobiphenyl13029-09-945 % similar 2-Mercaptophenol1121-24-043 % similar 2-Methylbenzenethiol137-06-443 % similar 2-Aminothiophenol137-07-543 % similar 2-Fluorothiophenol2557-78-043 % similar 2-Chlorobenzenethiol6320-03-243 % similar 1,4-Dibromonaphthalene83-53-443 % similar

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

Same formula

4-Bromothiophenol106-53-6 3-Bromothiophenol6320-01-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook