3-Bromo-4-methylthiophene

C₅H₅BrSCAS 30318-99-1177.06 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

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 1,5-Dibromo-2,4-dimethylbenzene615-87-243 % similar 1-Bromo-2,4,5-trimethylbenzene5469-19-242 % similar 1-Bromo-2,3-dimethylbenzene576-23-837 % similar 2-Bromo-1,3-dimethylbenzene576-22-736 % similar 2,4-Dibromo-1-methylbenzene31543-75-636 % similar 1-Bromo-2,4-dimethylbenzene583-70-036 % similar

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

Same formula

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

Elsewhere

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