4-Bromo-2-methylthiophene

C₅H₅BrSCAS 29421-92-9177.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₅BrS
Molar mass: 177.06 g/mol
Exact mass: 175.9295 Da
logP: 2.82Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed95.2% of notifiers
H318 Causes serious eye damage95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

29421-92-9

SMILES

CC1=CC(=CS1)Br

InChIKey

ABMUSXPGSSMPLK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Bromo-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dibromothiophene3140-92-950 % similar 2,4-Dimethylthiophene638-00-650 % similar 4-Bromo-2-thiophenecarboxaldehyde18791-75-843 % similar 1-(4-Bromo-2-thienyl)ethan-1-one7209-11-242 % similar 4-Bromo-2-cyanothiophene18791-99-641 % similar Methyl 4-bromothiophene-2-carboxylate62224-16-238 % similar 4-Bromo-2-thiophenecarboxylic acid16694-18-138 % similar 3,5-Dibromotoluene1611-92-336 % 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 2-Bromo-5-methylthiophene765-58-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook