chempirical

4-Bromothioanisole

C7H7BrSCAS 104-95-0203.10 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
1.465 g/mL (at 1 °C)
Melting point
32 °C
Boiling point
230–232 °C
logP
3.17Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
104-95-0
SMILES
CSc1ccc(Br)cc1
InChIKey
YEUYZNNBXLMFCW-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Weigh it out

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

Names and synonyms

17 names · show all
  • Benzene, 1-bromo-4-(methylthio)-
  • Sulfide, p-bromophenyl methyl
  • 1-Bromo-4-(methylthio)benzene
  • p-Bromophenyl methyl sulfide
  • Methyl 4-bromophenyl sulfide
  • 4-Bromo-1-(methylthio)benzene
  • p-Bromo(methylthio)benzene
  • p-Bromothioanisole
  • 4-Bromophenyl methyl sulfide
  • p-(Methylthio)phenyl bromide
  • Methyl p-bromophenyl sulfide
  • 1-Bromo-4-(methylsulfanyl)benzene
  • NSC 73383
  • 4-(Methylthio)bromobenzene
  • 4-Methylthiophenyl bromide
  • 4-(Methylthio)-1-bromobenzene
  • (4-Bromophenyl)(methyl)sulfane

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Methylthio)phenol1073-72-957 % similar Methyl P-tolyl sulfide623-13-252 % similar Thioanisole100-68-550 % similar 4-(Methylthio)aniline104-96-150 % similar 1,4-Dibromobenzene106-37-650 % similar 4-(Methylthio)benzenethiol1122-97-050 % similar 1-Chloro-4-(methylthio)benzene123-09-150 % similar 4-Fluorophenyl methyl sulfide371-15-350 % similar

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

Same formula

2-Bromothioanisole19614-16-5 3-Bromothioanisole33733-73-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook