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

C4H4BrNSCAS 7238-61-1178.05 g/mol

Open in Covalent MOL file
SNBr
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
7238-61-1
SMILES
CC1=CSC(=N1)Br
InChIKey
KLFWJAAGXUDNIS-UHFFFAOYSA-N
InChI
InChI=1S/C4H4BrNS/c1-3-2-7-4(5)6-3/h2H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Bromo-4-methylthiazole

Work with 2-Bromo-4-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-Methyl-2(3H)-thiazolethione4498-39-950 % similar 2-Ethyl-4-methyl thiazole15679-12-645 % similar 2-Isopropyl-4-methylthiazole15679-13-745 % similar 4-Methyl-1,3-thiazole-2-carbaldehyde13750-68-043 % similar 2-Bromo-4-hydroxymethylthiazole5198-86-743 % similar 4-Methyl-2-(2-methylpropyl)thiazole61323-24-841 % 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-5-methylthiazole41731-23-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook