2-Bromo-3-(bromomethyl)thiophene

C₅H₄Br₂SCAS 40032-76-6255.95 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₅H₄Br₂S
Molar mass: 255.95 g/mol
Exact mass: 253.8400 Da
logP: 3.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

40032-76-6

SMILES

C1=CSC(=C1CBr)Br

InChIKey

ZPWPMAAPQZXPDD-UHFFFAOYSA-N

InChI

InChI=1S/C5H4Br2S/c6-3-4-1-2-8-5(4)7/h1-2H,3H2

Weigh it out

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

Names and synonyms

1 names

2-Bromo-3-bromomethylthiophene

Work with 2-Bromo-3-(bromomethyl)thiophene

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-Bromothien-3-yl)methanol70260-16-162 % similar 2-Bromo-3-butylthiophene145543-82-453 % similar 2-Bromo-3-methylthiophene14282-76-950 % similar 2-Bromo-3-decylthiophene144012-09-950 % similar 2-Bromo-3-n-octylthiophene145543-83-550 % similar 2-Bromo-3-hexylthiophene69249-61-250 % similar 2,3-Dibromothiophene3140-93-048 % similar Xylylene dibromide91-13-442 % similar

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

Same formula

2,5-Dibromo-3-methylthiophene13191-36-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook