5-ethoxycarbonylthiophene-2-carboxylic acid

C8H8O4S — CID 15232123

IUPAC5-ethoxycarbonylthiophene-2-carboxylic acid
SMILESCCOC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C8H8O4S/c1-2-12-8(11)6-4-3-5(13-6)7(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyZHVNYGKUJXZNOA-UHFFFAOYSA-N
MW200.21 g/mol
LogP1.62
Rot. Bonds3

About 5-ethoxycarbonylthiophene-2-carboxylic acid

5-ethoxycarbonylthiophene-2-carboxylic acid (PubChem CID 15232123) has the molecular formula C8H8O4S and a molecular weight of 200.21 g/mol. Its IUPAC name is 5-ethoxycarbonylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-ethoxycarbonylthiophene-2-carboxylic acid
PubChem CID15232123
Molecular FormulaC8H8O4S
Molecular Weight200.21 g/mol
Exact Mass200.01
IUPAC Name5-ethoxycarbonylthiophene-2-carboxylic acid
SMILESCCOC(=O)c1ccc(C(=O)O)s1
InChIInChI=1S/C8H8O4S/c1-2-12-8(11)6-4-3-5(13-6)7(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKeyZHVNYGKUJXZNOA-UHFFFAOYSA-N
XLogP1.62
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxycarbonylthiophene-2-carboxylic acid?
The IUPAC name of 5-ethoxycarbonylthiophene-2-carboxylic acid (CID 15232123) is 5-ethoxycarbonylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-ethoxycarbonylthiophene-2-carboxylic acid?
The canonical SMILES for 5-ethoxycarbonylthiophene-2-carboxylic acid is CCOC(=O)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-ethoxycarbonylthiophene-2-carboxylic acid?
The InChIKey is ZHVNYGKUJXZNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4S/c1-2-12-8(11)6-4-3-5(13-6)7(9)10/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 5-ethoxycarbonylthiophene-2-carboxylic acid?
5-ethoxycarbonylthiophene-2-carboxylic acid has a molecular weight of 200.21 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonylthiophene-2-carboxylic acid is sourced from PubChem (CID 15232123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).