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3-(3-Phenoxythiophen-2-yl)-2-thiophen-2-ylsulfonylprop-2-enenitrile

HCID 54225762
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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

1 records
New reaction record
HRID 87489 reaction equation
HRID 87489As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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