5-Bromo-2,4-dimethyl-1,3-thiazole

C5H6BrNSCAS 28599-52-2192.07 g/mol

Open in Covalent MOL file
SNBr
Aryl halide

Properties

Molecular formula
C5H6BrNS
Molar mass
192.07 g/mol
Exact mass
190.9404 Da
logP
2.52Crippen 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
28599-52-2
SMILES
CC1=C(SC(=N1)C)Br
InChIKey
BSFCVAYFJQLZEU-UHFFFAOYSA-N
InChI
InChI=1S/C5H6BrNS/c1-3-5(6)8-4(2)7-3/h1-2H3

Weigh it out

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

Work with 5-Bromo-2,4-dimethyl-1,3-thiazole

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

2,4,5-Trimethylthiazole13623-11-552 % similar Dimethyl-1,3-thiazole-5-sulfonyl chloride80466-80-444 % similar 5-Acetyl-2,4-dimethylthiazole38205-60-641 % similar Dimethyl-1,3-thiazole-5-carboxylic acid53137-27-239 % similar 5-Bromo-2-methylbenzothiazole63837-11-634 % similar Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-734 % similar 2,5-Dimethyl-1,3,4-thiadiazole27464-82-033 % similar 4-Bromo-2-methyl-1,3-thiazole298694-30-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook