chempirical

4-(Chloromethyl)-2-methyl-1,3-thiazole

C5H6ClNSCAS 39238-07-8147.62 g/mol

Open in Covalent MOL file
NSCl
Alkyl halide

Properties

Molecular formula
C5H6ClNS
Molar mass
147.62 g/mol
Exact mass
146.9909 Da
logP
2.19Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
39238-07-8
SMILES
CC1=NC(=CS1)CCl
InChIKey
AQBBZYVPKBIILN-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClNS/c1-4-7-5(2-6)3-8-4/h3H,2H2,1H3

Weigh it out

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

Work with 4-(Chloromethyl)-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Chloromethyl-2-methylthiazole hydrochloride77470-53-2Salt

Similar compounds

5-Chloromethyl-2-isopropyl-thiazole40516-57-253 % similar 2,4-Dimethylthiazole541-58-246 % similar 4-Bromo-2-methyl-1,3-thiazole298694-30-143 % similar 2-Methyl-1,3-thiazole-4-carbaldehyde20949-84-239 % similar 2,6-Bis(chloromethyl)pyridine3099-28-338 % similar 2-(Chloromethyl)-6-methylpyridine hydrochloride3099-30-736 % similar 2-Methyl-1,3-thiazole-4-carboxylic acid35272-15-236 % similar Ethyl 2-methylthiazole-4-carboxylate6436-59-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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