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Compound
3-(3-Phenoxythiophen-2-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile
HCID
54225762
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
N#CC(=Cc1sccc1Oc1ccccc1)S(=O)(=O)c1cccs1
InChIKey
QFSYJHLQNYKHQD-UHFFFAOYSA-N
Molecular formula
C17H11NO3S3
Average molar mass
373.5 g/mol
Names & identifiers
Preferred name
3-(3-Phenoxythiophen-2-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile
IUPAC
3-(3-phenoxythiophen-2-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile
Names & synonyms
SCHEMBL8429729
Database identifiers
PubChem CID
54225762
Properties
Computed structural properties
XLogP
4.3
Topological polar surface area
132 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
611
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Related reactions
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As solvent
HRID
87489
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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