4-Bromo-isothiazole

C3H2BrNSCAS 24340-77-0164.02 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

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Bromopyrimidine-2-carbonitrile38275-57-932 % 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

PubChem CAS Common Chemistry NIST WebBook