2-[(4-Chlorophenyl)thio]-3-thiophenecarboxaldehyde

C11H7ClOS2CAS 306935-23-9254.75 g/mol

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OSSCl
AldehydeAryl halideSulfide

Properties

Molecular formula
C11H7ClOS2
Molar mass
254.75 g/mol
Exact mass
253.9627 Da
logP
4.37Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

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

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Identifiers

CAS number
306935-23-9
SMILES
O=Cc1ccsc1Sc1ccc(Cl)cc1
InChIKey
BUOYQFNEKJFCNT-UHFFFAOYSA-N
InChI
InChI=1S/C11H7ClOS2/c12-9-1-3-10(4-2-9)15-11-8(7-13)5-6-14-11/h1-7H

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Names and synonyms

4 names
  • 3-Thiophenecarboxaldehyde, 2-[(4-chlorophenyl)thio]-
  • 2-[(4-Chlorophenyl)sulfanyl]thiophene-3-carbaldehyde
  • 2-[(4-Chlorophenyl)thio]thiophene-3-carbaldehyde
  • 2-(4-Chlorophenyl)sulfanylthiophene-3-carbaldehyde

Work with 2-[(4-Chlorophenyl)thio]-3-thiophenecarboxaldehyde

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-(4-Chlorophenylthio)benzaldehyde107572-07-654 % similar Thiophene-2,3-dicarbaldehyde932-41-242 % similar 4-Chlorobenzaldehyde104-88-140 % similar 2,5-Dichlorobenzaldehyde6361-23-538 % similar 2,4-Dichlorobenzaldehyde874-42-038 % similar 4-Chloro-2-hydroxybenzaldehyde2420-26-038 % similar 3-Formyl-2-thiopheneboronic Acid (contains varying amounts of Anhydride)17303-83-237 % similar 2-Bromo-5-chlorobenzaldehyde174265-12-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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