4-Bromo-2-cyanothiophene

C₅H₂BrNSCAS 18791-99-6188.04 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₅H₂BrNS
Molar mass: 188.04 g/mol
Exact mass: 186.9091 Da
logP: 2.38Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

18791-99-6

SMILES

N#Cc1cc(Br)cs1

InChIKey

DJYVXBJLHPKUKS-UHFFFAOYSA-N

InChI

InChI=1S/C5H2BrNS/c6-4-1-5(2-7)8-3-4/h1,3H

Weigh it out

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

Names and synonyms

4 names

2-Thiophenecarbonitrile, 4-bromo-
4-Bromo-2-thiophenecarbonitrile
2-Cyano-4-bromothiophene
3-Bromo-5-cyanothiophene

Work with 4-Bromo-2-cyanothiophene

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

4-Bromo-2-thiophenecarboxaldehyde18791-75-839 % similar 5-Bromo-2-hydroxybenzonitrile40530-18-538 % similar 4-Bromobenzonitrile623-00-738 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-438 % similar 3-Bromobenzonitrile6952-59-638 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-935 % similar 3-Bromo-5-fluorobenzonitrile179898-34-135 % similar 3-Bromo-5-chlorobenzonitrile304854-55-535 % similar

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

Same formula

3-Bromo-2-thiophenecarbonitrile18791-98-5

Elsewhere

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