5-(furan-2-yl)thiophene-2-carboxylate

C9H5O3S- — CID 2052620

IUPAC5-(furan-2-yl)thiophene-2-carboxylate
SMILESO=C([O-])c1ccc(-c2ccco2)s1
InChIInChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)/p-1
InChIKeyZASUJVQPFQRFPQ-UHFFFAOYSA-M
MW193.20 g/mol
LogP1.37
Rot. Bonds2

About 5-(furan-2-yl)thiophene-2-carboxylate

5-(furan-2-yl)thiophene-2-carboxylate (PubChem CID 2052620) has the molecular formula C9H5O3S- and a molecular weight of 193.20 g/mol. Its IUPAC name is 5-(furan-2-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Name5-(furan-2-yl)thiophene-2-carboxylate
PubChem CID2052620
Molecular FormulaC9H5O3S-
Molecular Weight193.20 g/mol
Exact Mass193.00
IUPAC Name5-(furan-2-yl)thiophene-2-carboxylate
SMILESO=C([O-])c1ccc(-c2ccco2)s1
InChIInChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)/p-1
InChIKeyZASUJVQPFQRFPQ-UHFFFAOYSA-M
XLogP1.37
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)thiophene-2-carboxylate?
The IUPAC name of 5-(furan-2-yl)thiophene-2-carboxylate (CID 2052620) is 5-(furan-2-yl)thiophene-2-carboxylate.
What is the SMILES notation for 5-(furan-2-yl)thiophene-2-carboxylate?
The canonical SMILES for 5-(furan-2-yl)thiophene-2-carboxylate is O=C([O-])c1ccc(-c2ccco2)s1.
What is the InChIKey of 5-(furan-2-yl)thiophene-2-carboxylate?
The InChIKey is ZASUJVQPFQRFPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6O3S/c10-9(11)8-4-3-7(13-8)6-2-1-5-12-6/h1-5H,(H,10,11)/p-1.
What are the key properties of 5-(furan-2-yl)thiophene-2-carboxylate?
5-(furan-2-yl)thiophene-2-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)thiophene-2-carboxylate is sourced from PubChem (CID 2052620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).