2-Bromo-5-methylthiophene

C₅H₅BrSCAS 765-58-2177.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅BrS
Molar mass: 177.06 g/mol
Exact mass: 175.9295 Da
Density: 1.552 g/mL (at 20 °C)
Boiling point: 178 °C
logP: 2.82Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

765-58-2

SMILES

Cc1ccc(Br)s1

InChIKey

ACDLOOGOFKSUPO-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Thiophene, 2-bromo-5-methyl-
5-Bromo-2-methylthiophene
5-Methyl-2-bromothiophene

Work with 2-Bromo-5-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

2,5-Dibromothiophene3141-27-358 % similar 2,5-Dimethylthiophene638-02-858 % similar 2-Bromo-5-chlorothiophene2873-18-944 % similar 2-Acetyl-5-bromothiophene5370-25-240 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-439 % similar 5-Methyl-2-thiopheneboronic acid162607-20-739 % similar 2-Bromo-5-phenylthiophene29488-24-239 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-139 % similar

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

Same formula

2-Bromo-3-methylthiophene14282-76-9 3-Bromo-4-methylthiophene30318-99-1 3-(Bromomethyl)thiophene34846-44-1

Elsewhere

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