4-hydroxythiophene-2-sulfonic acid

C4H4O4S2 — CID 151671453

IUPAC4-hydroxythiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)cs1
InChIInChI=1S/C4H4O4S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2,5H,(H,6,7,8)
InChIKeyQYQIUJCUDHHAGC-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.70
Rot. Bonds1

About 4-hydroxythiophene-2-sulfonic acid

4-hydroxythiophene-2-sulfonic acid (PubChem CID 151671453) has the molecular formula C4H4O4S2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-hydroxythiophene-2-sulfonic acid.

Molecular Properties

Compound Name4-hydroxythiophene-2-sulfonic acid
PubChem CID151671453
Molecular FormulaC4H4O4S2
Molecular Weight180.21 g/mol
Exact Mass179.96
IUPAC Name4-hydroxythiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(O)cs1
InChIInChI=1S/C4H4O4S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2,5H,(H,6,7,8)
InChIKeyQYQIUJCUDHHAGC-UHFFFAOYSA-N
XLogP0.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxythiophene-2-sulfonic acid?
The IUPAC name of 4-hydroxythiophene-2-sulfonic acid (CID 151671453) is 4-hydroxythiophene-2-sulfonic acid.
What is the SMILES notation for 4-hydroxythiophene-2-sulfonic acid?
The canonical SMILES for 4-hydroxythiophene-2-sulfonic acid is O=S(=O)(O)c1cc(O)cs1.
What is the InChIKey of 4-hydroxythiophene-2-sulfonic acid?
The InChIKey is QYQIUJCUDHHAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O4S2/c5-3-1-4(9-2-3)10(6,7)8/h1-2,5H,(H,6,7,8).
What are the key properties of 4-hydroxythiophene-2-sulfonic acid?
4-hydroxythiophene-2-sulfonic acid has a molecular weight of 180.21 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxythiophene-2-sulfonic acid is sourced from PubChem (CID 151671453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).