thiophene-2,5-dicarboxylic acid

C6H4O4S — CID 20273

IUPACthiophene-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)s1
InChIInChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyYCGAZNXXGKTASZ-UHFFFAOYSA-N
MW172.16 g/mol
LogP1.14
Rot. Bonds2

About thiophene-2,5-dicarboxylic acid

thiophene-2,5-dicarboxylic acid (PubChem CID 20273) has the molecular formula C6H4O4S and a molecular weight of 172.16 g/mol. Its IUPAC name is thiophene-2,5-dicarboxylic acid.

Molecular Properties

Compound Namethiophene-2,5-dicarboxylic acid
PubChem CID20273
Molecular FormulaC6H4O4S
Molecular Weight172.16 g/mol
Exact Mass171.98
IUPAC Namethiophene-2,5-dicarboxylic acid
SMILESO=C(O)c1ccc(C(=O)O)s1
InChIInChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKeyYCGAZNXXGKTASZ-UHFFFAOYSA-N
XLogP1.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophene-2,5-dicarboxylic acid?
The IUPAC name of thiophene-2,5-dicarboxylic acid (CID 20273) is thiophene-2,5-dicarboxylic acid.
What is the SMILES notation for thiophene-2,5-dicarboxylic acid?
The canonical SMILES for thiophene-2,5-dicarboxylic acid is O=C(O)c1ccc(C(=O)O)s1.
What is the InChIKey of thiophene-2,5-dicarboxylic acid?
The InChIKey is YCGAZNXXGKTASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10).
What are the key properties of thiophene-2,5-dicarboxylic acid?
thiophene-2,5-dicarboxylic acid has a molecular weight of 172.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2,5-dicarboxylic acid is sourced from PubChem (CID 20273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).