Bis(4-ethylphenyl) thiophene-2,5-dicarboxylate

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Basic information

CAS: 90619-97-9
Standard SMILES: CCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(CC)cc3)s2)cc1
InChIKey: SDMNOSPWLCZUNM-UHFFFAOYSA-N
Molecular formula: C22H20O4S
Average molar mass: 380.5 g/mol
Monoisotopic mass: 380.10823029

Names & identifiers

Preferred name: Bis(4-ethylphenyl) thiophene-2,5-dicarboxylate
IUPAC: bis(4-ethylphenyl) thiophene-2,5-dicarboxylate

Names & synonyms

bis(4-ethylphenyl) thiophene-2,5-dicarboxylateOprea1_6131562,5-Bis(4-ethylphenyl) 2,5-thiophenedicarboxylateDTXSID001235189AKOS02515051590619-97-9bis(4-ethylphenyl) 2,5-thiophenedicarboxylateSR-01000388790SR-01000388790-1

Database identifiers

CAS: 90619-97-9
PubChem CID: 3918210
DTXSID: DTXSID001235189

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 80.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 449

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Compound notes

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