chempirical

4-Chloromethyl-2-methylthiazole hydrochloride

C5H7Cl2NSCAS 77470-53-2184.08 g/mol

Open in Covalent MOL file
NSClHCl
Alkyl halide

Properties

Molecular formula
C5H7Cl2NS
Molar mass
184.08 g/mol
Exact mass
182.9676 Da
logP
2.61Crippen 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
77470-53-2
SMILES
CC1=NC(=CS1)CCl.Cl
InChIKey
YGKDISJLDVGNOR-UHFFFAOYSA-N
InChI
InChI=1S/C5H6ClNS.ClH/c1-4-7-5(2-6)3-8-4;/h3H,2H2,1H3;1H

Weigh it out

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

Work with 4-Chloromethyl-2-methylthiazole hydrochloride

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-methyl-1,3-thiazole39238-07-8Free base

Similar compounds

5-Chloromethyl-2-isopropyl-thiazole40516-57-249 % similar 2-(Chloromethyl)-6-methylpyridine hydrochloride3099-30-744 % similar 4-(Chloromethyl)-1,3-thiazole hydrochloride7709-58-244 % similar 2,4-Dimethylthiazole541-58-242 % similar 4-Bromo-2-methyl-1,3-thiazole298694-30-139 % similar 2-Methyl-1,3-thiazole-4-carbaldehyde20949-84-236 % similar Picolyl chloride hydrochloride6959-47-336 % similar 2-(Chloromethyl)quinoline hydrochloride3747-74-836 % similar

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

Elsewhere

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