2,4-Dichloro-1,3-thiazole-5-carboxaldehyde

C4HCl2NOSCAS 92972-48-0182.02 g/mol

Open in Covalent MOL file
ONSClCl
AldehydeAryl halide

Properties

Molecular formula
C4HCl2NOS
Molar mass
182.02 g/mol
Exact mass
180.9156 Da
logP
2.26Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
92972-48-0
SMILES
C(=O)C1=C(N=C(S1)Cl)Cl
InChIKey
CFEKBKCGPASOFI-UHFFFAOYSA-N
InChI
InChI=1S/C4HCl2NOS/c5-3-2(1-8)9-4(6)7-3/h1H

Weigh it out

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Names and synonyms

1 names
  • 2,4-Dichloro-5-thiazolecarboxaldehyde

Work with 2,4-Dichloro-1,3-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

2-Chloro-1,3-thiazole-5-carbaldehyde95453-58-039 % similar 2,4,6-Trichloro-5-pyrimidinecarboxaldehyde50270-27-439 % similar 4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde14160-91-936 % similar 2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde5604-46-636 % similar 6-Chloroimidazo[2,1-b]thiazole-5-carboxaldehyde23576-84-336 % similar 4,6-Dichloro-5-pyrimidinecarbaldehyde5305-40-834 % similar 4,6-Dichloro-2-methylsulfanyl-pyrimidine-5-carbaldehyde33097-11-934 % similar 2,6-Dichloro-3-pyridinecarboxaldehyde55304-73-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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