chempirical

4-Bromothiazole

C3H2BrNSCAS 34259-99-9164.02 g/mol

Open in Covalent MOL file
NSBr
Aryl halide

Properties

Molecular formula
C3H2BrNS
Molar mass
164.02 g/mol
Exact mass
162.9091 Da
logP
1.91Crippen estimate
Polar surface area
12.9 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
34259-99-9
SMILES
C1=C(N=CS1)Br
InChIKey
VDTIGYKLTROQAH-UHFFFAOYSA-N
InChI
InChI=1S/C3H2BrNS/c4-3-1-6-2-5-3/h1-2H

Weigh it out

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

Work with 4-Bromothiazole

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-Methylthiazole693-95-842 % similar 2,5-Dibromopyrazine23229-26-738 % similar Thiazole-4-carboxaldehyde3364-80-537 % similar 4-Hydroxymethylthiazole7036-04-637 % similar 4,6-Dibromopyrimidine36847-10-635 % similar 2,4-Dibromothiazole4175-77-335 % similar 4-Thiazolecarboxylic acid3973-08-833 % similar 4-(Chloromethyl)-1,3-thiazole hydrochloride7709-58-233 % similar

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

Same formula

4-Bromo-isothiazole24340-77-0 2-Bromothiazole3034-53-5 5-Bromothiazole3034-55-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook