2-Bromothioanisole

C7H7BrSCAS 19614-16-5203.10 g/mol

Open in Covalent MOL file
SBr
Aryl halideSulfide

Properties

Molecular formula
C7H7BrS
Molar mass
203.10 g/mol
Exact mass
201.9452 Da
Density
1.5135 g/mL (at 16 °C)
Boiling point
256 °C (at 768 Torr)
logP
3.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19614-16-5
SMILES
CSc1ccccc1Br
InChIKey
ALAQDUSTXPEHMH-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Weigh it out

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Names and synonyms

14 names · show all
  • Benzene, 1-bromo-2-(methylthio)-
  • Sulfide, o-bromophenyl methyl
  • 1-Bromo-2-(methylthio)benzene
  • o-Bromophenyl methyl sulfide
  • o-Bromothioanisole
  • o-Bromo(methylthio)benzene
  • 2-(Methylthio)phenyl bromide
  • 2-Bromophenyl methyl sulfide
  • Methyl o-bromophenyl sulfide
  • 1-Bromo-2-methylthiobenzene
  • 2-(Methylthio)bromobenzene
  • Methyl 2-bromophenyl sulfide
  • 1-Bromo-2-methylsulfanylbenzene
  • (2-Bromophenyl)(methyl)sulfane

Work with 2-Bromothioanisole

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-(Methylthio)phenol1073-29-650 % similar 2-Chlorophenyl methyl sulfide17733-22-150 % similar 2-(Methylthio)aniline2987-53-350 % similar 1-Iodo-2-methylsulfanylbenzene33775-94-950 % similar 2-Fluorothioanisole655-20-950 % similar 2-Methoxythioanisole2388-73-046 % similar 2-(Methylthio)benzonitrile6609-54-746 % similar 1,2-Dibromobenzene583-53-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromothioanisole104-95-0 2-Bromobenzyl mercaptan143888-85-1 4-Bromobenzyl mercaptan19552-10-4 3-Bromothioanisole33733-73-2

Elsewhere

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