4-(Chloromethyl)-1,3-thiazole hydrochloride

C4H5Cl2NSCAS 7709-58-2170.05 g/mol

Open in Covalent MOL file
NSClHCl
Alkyl halide

Properties

Molecular formula
C4H5Cl2NS
Molar mass
170.05 g/mol
Exact mass
168.9520 Da
logP
2.30Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
7709-58-2
SMILES
C1=C(N=CS1)CCl.Cl
InChIKey
NVTBASMQHFMANH-UHFFFAOYSA-N
InChI
InChI=1S/C4H4ClNS.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H

Weigh it out

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Names and synonyms

1 names
  • 4-(Chloromethyl)thiazole hydrochloride

Work with 4-(Chloromethyl)-1,3-thiazole 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

Similar compounds

4-Hydroxymethylthiazole7036-04-648 % similar 4-Chloromethyl-2-methylthiazole hydrochloride77470-53-244 % similar Picolyl chloride hydrochloride6959-47-344 % similar 2-(Chloromethyl)pyrimidine hydrochloride936643-80-039 % similar 6-Chloromethyl-2-methylpyridinium chloride3099-30-736 % similar 4-(Chloromethyl)-2-methyl-1,3-thiazole39238-07-835 % similar 2-(Chloromethyl)quinoline hydrochloride3747-74-835 % similar 4-Picolyl chloride hydrochloride1822-51-134 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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