3,4-dimethoxythiophene-2,5-dicarboxylic acid

C8H8O6S — CID 2801538

IUPAC3,4-dimethoxythiophene-2,5-dicarboxylic acid
SMILESCOc1c(C(=O)O)sc(C(=O)O)c1OC
InChIInChI=1S/C8H8O6S/c1-13-3-4(14-2)6(8(11)12)15-5(3)7(9)10/h1-2H3,(H,9,10)(H,11,12)
InChIKeyVJPALIAORYSTKL-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.16
Rot. Bonds4

About 3,4-dimethoxythiophene-2,5-dicarboxylic acid

3,4-dimethoxythiophene-2,5-dicarboxylic acid (PubChem CID 2801538) has the molecular formula C8H8O6S and a molecular weight of 232.21 g/mol. Its IUPAC name is 3,4-dimethoxythiophene-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3,4-dimethoxythiophene-2,5-dicarboxylic acid
PubChem CID2801538
Molecular FormulaC8H8O6S
Molecular Weight232.21 g/mol
Exact Mass232.00
IUPAC Name3,4-dimethoxythiophene-2,5-dicarboxylic acid
SMILESCOc1c(C(=O)O)sc(C(=O)O)c1OC
InChIInChI=1S/C8H8O6S/c1-13-3-4(14-2)6(8(11)12)15-5(3)7(9)10/h1-2H3,(H,9,10)(H,11,12)
InChIKeyVJPALIAORYSTKL-UHFFFAOYSA-N
XLogP1.16
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Protiofate
CID 68780
3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester
CID 245503
2,5-Dimethyl 3-hydroxythiophene-2,5-dicarboxylate
CID 305683
2,3-Dihydro-thieno(3,4-b)(1,4)dioxin-5,7-dicarboxylic acid
CID 728841
Diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate
CID 3244390
3,4-Propylenedioxythiophene-2,5-dicarboxylic acid
CID 10800308
Dimethyl 3,4-dihydroxythiophene-2,5-dicarboxylate
CID 350052
Dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
CID 614946
Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
CID 625399
3-Methoxy-5-methylthiophene-2-carboxylic acid
CID 13061857
4-Bromo-3-methoxy-5-methylthiophene-2-carboxylic acid
CID 14154205
3,4-dihydroxythiophene-2,5-dicarboxylic acid diethyl ester disodium salt
CID 54671964

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxythiophene-2,5-dicarboxylic acid?
The IUPAC name of 3,4-dimethoxythiophene-2,5-dicarboxylic acid (CID 2801538) is 3,4-dimethoxythiophene-2,5-dicarboxylic acid.
What is the SMILES notation for 3,4-dimethoxythiophene-2,5-dicarboxylic acid?
The canonical SMILES for 3,4-dimethoxythiophene-2,5-dicarboxylic acid is COc1c(C(=O)O)sc(C(=O)O)c1OC.
What is the InChIKey of 3,4-dimethoxythiophene-2,5-dicarboxylic acid?
The InChIKey is VJPALIAORYSTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O6S/c1-13-3-4(14-2)6(8(11)12)15-5(3)7(9)10/h1-2H3,(H,9,10)(H,11,12).
What are the key properties of 3,4-dimethoxythiophene-2,5-dicarboxylic acid?
3,4-dimethoxythiophene-2,5-dicarboxylic acid has a molecular weight of 232.21 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxythiophene-2,5-dicarboxylic acid is sourced from PubChem (CID 2801538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).