2-Bromo-3-methylthiophene

C₅H₅BrSCAS 14282-76-9177.06 g/mol

Open in Covalent MOL file

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

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 2,3-Dimethylthiophene632-16-650 % similar 2-Chloro-3-methylthiophene14345-97-246 % similar (3-Methyl-2-thienyl)methylamine104163-35-141 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-241 % similar 2,5-Dibromo-3-methylthiophene13191-36-139 % similar 2-Acetyl-3-methylthiophene13679-72-639 % similar 3-Methyl-2-thiophenecarboxylic acid23806-24-838 % similar

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

Same formula

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

Elsewhere

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