4-Bromo-2-methyl-1,3-thiazole

C4H4BrNSCAS 298694-30-1178.05 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 42 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
298694-30-1
SMILES
CC1=NC(=CS1)Br
InChIKey
LYRXILTUZBBMNS-UHFFFAOYSA-N
InChI
InChI=1S/C4H4BrNS/c1-3-6-4(5)2-7-3/h2H,1H3

Weigh it out

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Names and synonyms

1 names
  • 4-Bromo-2-methylthiazole

Work with 4-Bromo-2-methyl-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-Dibromothiazole4175-77-352 % similar 2,4-Dimethylthiazole541-58-252 % similar 4-Bromo-1,3-thiazol-2-amine502145-18-848 % similar (4-Bromo-1,3-thiazol-2-yl)methanol204513-31-543 % similar 2-Methyl-1,3-thiazole-4-carbaldehyde20949-84-243 % similar 4-(Chloromethyl)-2-methyl-1,3-thiazole39238-07-843 % similar 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-239 % similar 4-Chloromethyl-2-methylthiazole hydrochloride77470-53-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-5-methylthiazole41731-23-1 2-Bromo-4-methyl-1,3-thiazole7238-61-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook