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

C₅H₆ClNSCAS 39238-07-8147.62 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed40% of notifiers
H312 Harmful in contact with skin30% of notifiers
H314 Causes severe skin burns and eye damage80% of notifiers
H315 Causes skin irritation40% of notifiers
H318 Causes serious eye damage10% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled40% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

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

PubChem CAS Common Chemistry NIST WebBook