4-Bromo-isothiazole

C₃H₂BrNSCAS 24340-77-0164.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₂BrNS
Molar mass: 164.02 g/mol
Exact mass: 162.9091 Da
logP: 1.91Crippen estimate
Polar surface area: 12.9 Å²
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

24340-77-0

SMILES

C1=C(C=NS1)Br

InChIKey

XAGKUQWKQVTDSK-UHFFFAOYSA-N

InChI

InChI=1S/C3H2BrNS/c4-3-1-5-6-2-3/h1-2H

Weigh it out

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

Work with 4-Bromo-isothiazole

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-Bromopyrazole2075-45-836 % similar 5-Bromopyrimidine4595-59-935 % similar 3,5-Dibromopyridine625-92-335 % similar 2,5-Dibromopyridine624-28-235 % similar 2,5-Dibromopyrimidine32779-37-633 % similar 5-Bromo-2-pyrimidinecarbonitrile38275-57-932 % similar 5-Bromo-2-chloropyrimidine32779-36-532 % similar 3-Bromothiophene872-31-132 % similar

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

Same formula

2-Bromothiazole3034-53-5 5-Bromothiazole3034-55-7 4-Bromothiazole34259-99-9

Elsewhere

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