3-Bromo-4-methylthiophene

C5H5BrSCAS 30318-99-1177.06 g/mol

Open in Covalent MOL file
SBr
Aryl halide

Properties

Molecular formula
C5H5BrS
Molar mass
177.06 g/mol
Exact mass
175.9295 Da
Boiling point
180–182 °C
logP
2.82Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
30318-99-1
SMILES
Cc1cscc1Br
InChIKey
MBUSOPVRLCFJCS-UHFFFAOYSA-N
InChI
InChI=1S/C5H5BrS/c1-4-2-7-3-5(4)6/h2-3H,1H3

Weigh it out

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

Names and synonyms

2 names
  • Thiophene, 3-bromo-4-methyl-
  • 3-Methyl-4-bromothiophene

Work with 3-Bromo-4-methylthiophene

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

3,4-Dibromothiophene3141-26-258 % similar 2,5-Dibromo-p-xylene1074-24-445 % similar 4,5-Dibromo-O-xylene24932-48-745 % similar 1,5-Dibromo-2,4-dimethylbenzene615-87-243 % similar 2,4,5-Tribromotoluene3278-88-442 % similar 1-Bromo-2,4,5-trimethylbenzene5469-19-242 % similar 2-Bromotoluene95-46-542 % similar 1-Bromo-2,3-dimethylbenzene576-23-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-3-methylthiophene14282-76-9 4-Bromo-2-methylthiophene29421-92-9 3-(Bromomethyl)thiophene34846-44-1 2-Bromo-5-methylthiophene765-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook