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

C₄H₂ClNOSCAS 95453-58-0147.58 g/mol

Open in Covalent MOL file

Aldehyde Aryl 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 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H317 May cause an allergic skin reaction16.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

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