2-Chloro-5-chloromethylthiazole

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

Hazards

Danger

H302 Harmful if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P260, P261, P262, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P405, P501

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

5 names

2-Chloro-5-(chloromethyl)thiazole
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-chloromethylthiazole

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-methylthiazole33342-65-345 % similar 2-Chlorothiazole-5-carbonitrile51640-36-941 % similar 2-Chloro-5-(chloromethyl)thiophene23784-96-540 % similar Clothianidin210880-92-536 % similar Ethyl 2-chloro-1,3-thiazole-5-carboxylate81449-93-635 % similar 5-Chloro-2-(chloromethyl)pyridine10177-24-933 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-333 % similar 2-chloromethylThiophene765-50-432 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook