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3-Benzenesulfonylthiophene-2-carbaldehyde

HCID 916262
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=Cc1sccc1S(=O)(=O)c1ccccc1
InChIKey
JKARXHFHOOCPHM-UHFFFAOYSA-N
Molecular formula
C11H8O3S2
Average molar mass
252.3 g/mol

Names & identifiers

Preferred name
3-Benzenesulfonylthiophene-2-carbaldehyde
IUPAC
3-(benzenesulfonyl)thiophene-2-carbaldehyde

Names & synonyms

SCHEMBL1466311JKARXHFHOOCPHM-UHFFFAOYSA-N3-phenylsulphony-2-thiophenealdehyde3-phenylsulphonyl-2-thiophenealdehyde3-benzenesulfonylthiophene-2-carbaldehyde

Database identifiers

PubChem CID
916262

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
87.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
339

Related reactions

3 records
New reaction record
HRID 665390 reaction equation
HRID 665390As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1944398 reaction equation
HRID 1944398As reactantuspto-grants-2013_03
HRID 1944454 reaction equation
HRID 1944454As reactantuspto-grants-2013_03

Compound notes

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