4,5-dimethoxythiophene-2-carboxylic acid

C7H8O4S — CID 69334026

IUPAC4,5-dimethoxythiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1OC
InChIInChI=1S/C7H8O4S/c1-10-4-3-5(6(8)9)12-7(4)11-2/h3H,1-2H3,(H,8,9)
InChIKeyBHAAVITVUYESGT-UHFFFAOYSA-N
MW188.20 g/mol
LogP1.46
Rot. Bonds3

About 4,5-dimethoxythiophene-2-carboxylic acid

4,5-dimethoxythiophene-2-carboxylic acid (PubChem CID 69334026) has the molecular formula C7H8O4S and a molecular weight of 188.20 g/mol. Its IUPAC name is 4,5-dimethoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethoxythiophene-2-carboxylic acid
PubChem CID69334026
Molecular FormulaC7H8O4S
Molecular Weight188.20 g/mol
Exact Mass188.01
IUPAC Name4,5-dimethoxythiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)O)sc1OC
InChIInChI=1S/C7H8O4S/c1-10-4-3-5(6(8)9)12-7(4)11-2/h3H,1-2H3,(H,8,9)
InChIKeyBHAAVITVUYESGT-UHFFFAOYSA-N
XLogP1.46
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxythiophene-2-carboxylic acid?
The IUPAC name of 4,5-dimethoxythiophene-2-carboxylic acid (CID 69334026) is 4,5-dimethoxythiophene-2-carboxylic acid.
What is the SMILES notation for 4,5-dimethoxythiophene-2-carboxylic acid?
The canonical SMILES for 4,5-dimethoxythiophene-2-carboxylic acid is COc1cc(C(=O)O)sc1OC.
What is the InChIKey of 4,5-dimethoxythiophene-2-carboxylic acid?
The InChIKey is BHAAVITVUYESGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O4S/c1-10-4-3-5(6(8)9)12-7(4)11-2/h3H,1-2H3,(H,8,9).
What are the key properties of 4,5-dimethoxythiophene-2-carboxylic acid?
4,5-dimethoxythiophene-2-carboxylic acid has a molecular weight of 188.20 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxythiophene-2-carboxylic acid is sourced from PubChem (CID 69334026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).