2-thiophen-2-ylethenyl furan-2-carboxylate

C11H8O3S — CID 172636082

IUPAC2-thiophen-2-ylethenyl furan-2-carboxylate
SMILESO=C(OC=Cc1cccs1)c1ccco1
InChIInChI=1S/C11H8O3S/c12-11(10-4-1-6-13-10)14-7-5-9-3-2-8-15-9/h1-8H
InChIKeySWTDMBIMDVYFEZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.17
Rot. Bonds3

About 2-thiophen-2-ylethenyl furan-2-carboxylate

2-thiophen-2-ylethenyl furan-2-carboxylate (PubChem CID 172636082) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-thiophen-2-ylethenyl furan-2-carboxylate.

Molecular Properties

Compound Name2-thiophen-2-ylethenyl furan-2-carboxylate
PubChem CID172636082
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Name2-thiophen-2-ylethenyl furan-2-carboxylate
SMILESO=C(OC=Cc1cccs1)c1ccco1
InChIInChI=1S/C11H8O3S/c12-11(10-4-1-6-13-10)14-7-5-9-3-2-8-15-9/h1-8H
InChIKeySWTDMBIMDVYFEZ-UHFFFAOYSA-N
XLogP3.17
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylethenyl furan-2-carboxylate?
The IUPAC name of 2-thiophen-2-ylethenyl furan-2-carboxylate (CID 172636082) is 2-thiophen-2-ylethenyl furan-2-carboxylate.
What is the SMILES notation for 2-thiophen-2-ylethenyl furan-2-carboxylate?
The canonical SMILES for 2-thiophen-2-ylethenyl furan-2-carboxylate is O=C(OC=Cc1cccs1)c1ccco1.
What is the InChIKey of 2-thiophen-2-ylethenyl furan-2-carboxylate?
The InChIKey is SWTDMBIMDVYFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c12-11(10-4-1-6-13-10)14-7-5-9-3-2-8-15-9/h1-8H.
What are the key properties of 2-thiophen-2-ylethenyl furan-2-carboxylate?
2-thiophen-2-ylethenyl furan-2-carboxylate has a molecular weight of 220.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylethenyl furan-2-carboxylate is sourced from PubChem (CID 172636082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).