2-Bromothiazole

C3H2BrNSCAS 3034-53-5164.02 g/mol

Open in Covalent MOL file
BrNS
Aryl halide

Properties

Molecular formula
C3H2BrNS
Molar mass
164.02 g/mol
Exact mass
162.9091 Da
Melting point
39.5 °C
Boiling point
171 °C
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 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P501

Identifiers

CAS number
3034-53-5
SMILES
Brc1nccs1
InChIKey
RXNZFHIEDZEUQM-UHFFFAOYSA-N
InChI
InChI=1S/C3H2BrNS/c4-3-5-1-2-6-3/h1-2H

Weigh it out

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

Names and synonyms

3 names
  • Thiazole, 2-bromo-
  • 2-Bromo-1,3-thiazole
  • NSC 91532

Work with 2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chlorothiazole3034-52-443 % similar 2-Methylthiazole3581-87-143 % similar 2-(Trimethylsilyl)thiazole79265-30-842 % similar 2-Mercaptothiazole5685-05-242 % similar 2-Mercaptothiazole82358-09-642 % similar 1,3-Thiazole-2-carbaldehyde10200-59-637 % similar 1,3-Thiazole-2-carbonitrile1452-16-037 % similar 1,3-Thiazol-2-ylmethanol14542-12-237 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-isothiazole24340-77-0 5-Bromothiazole3034-55-7 4-Bromothiazole34259-99-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook