2-Bromo-5-methylthiazole

C4H4BrNSCAS 41731-23-1178.05 g/mol

Open in Covalent MOL file
NSBr
Aryl halide

Properties

Molecular formula
C4H4BrNS
Molar mass
178.05 g/mol
Exact mass
176.9248 Da
logP
2.21Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 4 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
41731-23-1
SMILES
CC1=CN=C(S1)Br
InChIKey
FJPZHYAYNAUKKA-UHFFFAOYSA-N
InChI
InChI=1S/C4H4BrNS/c1-3-2-6-4(5)7-3/h2H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Bromo-5-methyl-1,3-thiazole

Work with 2-Bromo-5-methylthiazole

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

2,5-Dimethylthiazole4175-66-052 % similar 2,5-Dibromothiazole4175-78-452 % similar 2-Chloro-5-methylthiazole33342-65-348 % similar 2-Bromo-5-fomylthiazole464192-28-743 % similar 2-Bromo-5-hydroxymethylthiazole687636-93-743 % similar Methyl 2-bromothiazole-5-carboxylate54045-74-840 % similar 2-Bromo-5-nitrothiazole3034-48-839 % similar 2-Bromo-5-thiazolecarboxylic acid54045-76-039 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-methyl-1,3-thiazole298694-30-1 2-Bromo-4-methyl-1,3-thiazole7238-61-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook