6-Chloroimidazo[2,1-b]thiazole-5-carboxaldehyde

C₆H₃ClN₂OSCAS 23576-84-3186.61 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₆H₃ClN₂OS
Molar mass: 186.61 g/mol
Exact mass: 185.9655 Da
logP: 1.86Crippen estimate
Polar surface area: 34.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

23576-84-3

SMILES

O=Cc1c(Cl)nc2sccn12

InChIKey

ZUBBEEJDPFMKHA-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClN2OS/c7-5-4(3-10)9-1-2-11-6(9)8-5/h1-3H

Weigh it out

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

Names and synonyms

3 names

Imidazo[2,1-b]thiazole-5-carboxaldehyde, 6-chloro-
NSC 315209
6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Work with 6-Chloroimidazo[2,1-b]thiazole-5-carboxaldehyde

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

6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde74630-73-256 % similar 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde50270-27-439 % similar 2,4-Dichloro-1,3-thiazole-5-carboxaldehyde92972-48-036 % similar 4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-835 % similar 6-Chloroimidazo[2,1-b]thiazole23576-81-035 % similar 4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde33097-11-935 % similar 4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-933 % similar 2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde5604-46-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile104366-23-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook