2-Bromo-3-methylthiophene

C₅H₅BrSCAS 14282-76-9177.06 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₅H₅BrS
Molar mass: 177.06 g/mol
Exact mass: 175.9295 Da
Density: 1.571 g/mL (at 20 °C)
Melting point: below 25 °C
Boiling point: 176 °C
logP: 2.82Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.8% of notifiers
H312 Harmful in contact with skin10.9% of notifiers
H315 Causes skin irritation10.9% of notifiers
H318 Causes serious eye damage91.3% of notifiers
H332 Harmful if inhaled10.9% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14282-76-9

SMILES

Cc1ccsc1Br

InChIKey

YYJBWYBULYUKMR-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3

Weigh it out

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

Names and synonyms

2 names

Thiophene, 2-bromo-3-methyl-
5-Bromo-4-methylthiophene

Work with 2-Bromo-3-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

2,3-Dibromothiophene3140-93-050 % similar 2-Bromo-3-(bromomethyl)thiophene40032-76-650 % similar 2,3-Dimethylthiophene632-16-650 % similar 2-Chloro-3-methylthiophene14345-97-246 % similar (3-Methyl-2-thienyl)methylamine104163-35-141 % similar 3-Methylthiophene-2-boronic acid177735-09-041 % similar 3-Methylthiophene-2-carbonitrile55406-13-841 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-241 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-methylthiophene29421-92-9 3-Bromo-4-methylthiophene30318-99-1 3-(Bromomethyl)thiophene34846-44-1 2-Bromo-5-methylthiophene765-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook