3-Chlorothiophene-2-carbaldehyde

C₅H₃ClOSCAS 67482-48-8146.59 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₃ClOS
Molar mass: 146.59 g/mol
Exact mass: 145.9593 Da
logP: 2.21Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

67482-48-8

SMILES

C1=CSC(=C1Cl)C=O

InChIKey

PJOJWMNHMJFFCR-UHFFFAOYSA-N

InChI

InChI=1S/C5H3ClOS/c6-4-1-2-8-5(4)3-7/h1-3H

Weigh it out

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

Work with 3-Chlorothiophene-2-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

Thiophene-2,3-dicarbaldehyde932-41-256 % similar 3-Methyl-2-thiophenecarboxaldehyde5834-16-252 % similar 3-Bromothiophene-2-carboxaldehyde930-96-152 % similar 3-Methoxythiophene-2-carbaldehyde35134-07-747 % similar 2-Formyl-3-thiopheneboronic acid4347-31-347 % similar 2,3-Dichlorothiophene17249-79-544 % similar 2,6-Dichlorobenzaldehyde83-38-543 % similar 2-Chlorobenzaldehyde89-98-540 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Thiophenecarbonyl chloride41507-35-1 2-Thiophenecarbonyl chloride5271-67-0 5-Chloro-2-thiophenecarboxaldehyde7283-96-7

Elsewhere

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