2-Chloro-5-(chloromethyl)thiazole

C₄H₃Cl₂NSCAS 105827-91-6168.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₄H₃Cl₂NS
Molar mass: 168.03 g/mol
Exact mass: 166.9363 Da
Melting point: 31 °C
logP: 2.54Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

105827-91-6

SMILES

ClCc1cnc(Cl)s1

InChIKey

VRMUIVKEHJSADG-UHFFFAOYSA-N

InChI

InChI=1S/C4H3Cl2NS/c5-1-3-2-7-4(6)8-3/h2H,1H2

Weigh it out

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

Names and synonyms

4 names

Thiazole, 2-chloro-5-(chloromethyl)-
2-Chloro-5-thiazolylmethyl chloride
2-Chloro-5-chloromethyl-1,3-thiazole
5-Chloromethyl-2-chloro-1,3-thiazole

Work with 2-Chloro-5-(chloromethyl)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-Chloro-5-(chloromethyl)thiophene23784-96-540 % similar Clothianidin210880-92-536 % similar 5-Chloro-2-(chloromethyl)pyridine10177-24-933 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-333 % similar Thiamethoxam153719-23-432 % similar 2-Chlorothiazole3034-52-431 % similar 5-(Chloromethyl)pyrimidine101346-02-530 % similar

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

Elsewhere

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