chempirical

3-Chlorothiophene-2-carbaldehyde

C5H3ClOSCAS 67482-48-8146.59 g/mol

Open in Covalent MOL file
SClO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 2
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
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

3-Methyl-2-thiophenecarboxaldehyde5834-16-252 % 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 3-Chlorothiophene-2-carbonyl chloride86427-02-339 % similar 2,3,6-Trichlorobenzaldehyde4659-47-639 % 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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