tert-Butyl (4-bromothiophen-2-yl)carbamate

C₉H₁₂BrNO₂SCAS 868387-45-5278.16 g/mol

Open in Covalent MOL file

Aryl halide Carbamate

Properties

Molecular formula: C₉H₁₂BrNO₂S
Molar mass: 278.16 g/mol
Exact mass: 276.9772 Da
logP: 3.86Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

868387-45-5

SMILES

CC(C)(C)OC(=O)NC1=CC(=CS1)Br

InChIKey

QNGTVGAIEOIQBR-UHFFFAOYSA-N

InChI

InChI=1S/C9H12BrNO2S/c1-9(2,3)13-8(12)11-7-4-6(10)5-14-7/h4-5H,1-3H3,(H,11,12)

Weigh it out

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

Work with tert-Butyl (4-bromothiophen-2-yl)carbamate

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

tert-Butyl N-(4-bromophenyl)-carbamate131818-17-256 % similar tert-Butyl N-(thiophen-2-yl)carbamate56267-50-655 % similar tert-Butyl N-(2-bromo-1,3-thiazol-5-yl)carbamate1094070-77-553 % similar tert-Butyl N-(4-bromopyridin-2-yl)carbamate207799-10-852 % similar 2-(Boc-amino)-5-bromopyridine159451-66-850 % similar tert-Butyl (5-bromopyrazin-2-yl)carbamate914349-79-448 % similar N-Boc-2-amino-5-bromothiazole405939-39-147 % similar 4-(Boc-amino)-2-bromopyridine433711-95-646 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook