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5-(3-Thienyl)-3-thiophenecarboxylic acid ethyl ester

HCID 54574263
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1csc(-c2ccsc2)c1
InChIKey
ZZLILLSEZXVCFQ-UHFFFAOYSA-N
Molecular formula
C11H10O2S2
Average molar mass
238.3 g/mol

Names & identifiers

Preferred name
5-(3-Thienyl)-3-thiophenecarboxylic acid ethyl ester
IUPAC
ethyl 5-thiophen-3-ylthiophene-3-carboxylate

Names & synonyms

SCHEMBL9454728ZZLILLSEZXVCFQ-UHFFFAOYSA-N5-(3-thienyl)-3-thiophenecarboxylic acid ethyl ester

Database identifiers

PubChem CID
54574263

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
82.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15
Formal charge
0
Complexity
233

Related reactions

2 records
New reaction record
HRID 832055 reaction equation
HRID 832055As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 2254480 reaction equation
HRID 2254480As productuspto-grants-1993_08

Compound notes

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