4-methoxythiophene-2-sulfonic acid

C5H6O4S2 — CID 175564884

IUPAC4-methoxythiophene-2-sulfonic acid
SMILESCOc1csc(S(=O)(=O)O)c1
InChIInChI=1S/C5H6O4S2/c1-9-4-2-5(10-3-4)11(6,7)8/h2-3H,1H3,(H,6,7,8)
InChIKeyZDWJLDZFRRHRLU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.00
Rot. Bonds2

About 4-methoxythiophene-2-sulfonic acid

4-methoxythiophene-2-sulfonic acid (PubChem CID 175564884) has the molecular formula C5H6O4S2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-methoxythiophene-2-sulfonic acid.

Molecular Properties

Compound Name4-methoxythiophene-2-sulfonic acid
PubChem CID175564884
Molecular FormulaC5H6O4S2
Molecular Weight194.23 g/mol
Exact Mass193.97
IUPAC Name4-methoxythiophene-2-sulfonic acid
SMILESCOc1csc(S(=O)(=O)O)c1
InChIInChI=1S/C5H6O4S2/c1-9-4-2-5(10-3-4)11(6,7)8/h2-3H,1H3,(H,6,7,8)
InChIKeyZDWJLDZFRRHRLU-UHFFFAOYSA-N
XLogP1.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxythiophene-2-sulfonic acid?
The IUPAC name of 4-methoxythiophene-2-sulfonic acid (CID 175564884) is 4-methoxythiophene-2-sulfonic acid.
What is the SMILES notation for 4-methoxythiophene-2-sulfonic acid?
The canonical SMILES for 4-methoxythiophene-2-sulfonic acid is COc1csc(S(=O)(=O)O)c1.
What is the InChIKey of 4-methoxythiophene-2-sulfonic acid?
The InChIKey is ZDWJLDZFRRHRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4S2/c1-9-4-2-5(10-3-4)11(6,7)8/h2-3H,1H3,(H,6,7,8).
What are the key properties of 4-methoxythiophene-2-sulfonic acid?
4-methoxythiophene-2-sulfonic acid has a molecular weight of 194.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxythiophene-2-sulfonic acid is sourced from PubChem (CID 175564884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).