chempirical

5-Bromothiophene-2-carbonitrile

C5H2BrNSCAS 2160-62-5188.04 g/mol

Open in Covalent MOL file
SBrN
Aryl halideNitrile

Properties

Molecular formula
C5H2BrNS
Molar mass
188.04 g/mol
Exact mass
186.9091 Da
logP
2.38Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

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
2160-62-5
SMILES
C1=C(SC(=C1)Br)C#N
InChIKey
YVVHCBNJWHPMCQ-UHFFFAOYSA-N
InChI
InChI=1S/C5H2BrNS/c6-5-2-1-4(3-7)8-5/h1-2H

Weigh it out

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Work with 5-Bromothiophene-2-carbonitrile

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

2,5-Dibromothiophene3141-27-350 % similar 5-Chloro-2-thiophenecarbonitrile50478-16-550 % similar 5-Formylthiophene-2-carbonitrile21512-16-345 % similar (5-Cyanothiophen-2-yl)boronic acid305832-67-145 % similar 5,5'-Dibromo-2,2'-bithiophene4805-22-544 % similar 5-Nitrothiophene-2-carbonitrile16689-02-441 % similar 5-Acetylthiophene-2-carbonitrile88653-55-841 % similar 2-Bromo-5-phenylthiophene29488-24-240 % similar

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

Same formula

3-Bromo-2-thiophenecarbonitrile18791-98-5 4-Bromo-2-cyanothiophene18791-99-6

Elsewhere

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