chempirical

2-Chloro-1,3-thiazole-5-carbaldehyde

C4H2ClNOSCAS 95453-58-0147.58 g/mol

Open in Covalent MOL file
SNClO
AldehydeAryl halide

Properties

Molecular formula
C4H2ClNOS
Molar mass
147.58 g/mol
Exact mass
146.9546 Da
logP
1.61Crippen estimate
Polar surface area
30.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
95453-58-0
SMILES
C1=C(SC(=N1)Cl)C=O
InChIKey
PKCBQQXHFIDIIG-UHFFFAOYSA-N
InChI
InChI=1S/C4H2ClNOS/c5-4-6-1-3(2-7)8-4/h1-2H

Weigh it out

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

Work with 2-Chloro-1,3-thiazole-5-carbaldehyde

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-Methylthiazole-5-carbaldehyde1003-60-753 % similar 2-Bromo-5-fomylthiazole464192-28-753 % similar 2-Chloro-5-methylthiazole33342-65-343 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-742 % similar Thiophene-2,5-dicarbaldehyde932-95-641 % similar 2-Chloro-5-chloromethylthiazole105827-91-641 % similar 2-Chloropyrimidine-5-carbaldehyde933702-55-740 % similar 2-Chlorothiazole-5-carbonitrile51640-36-939 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook