5-fluorothiophene-2-sulfonic acid

C4H3FO3S2 — CID 126750007

IUPAC5-fluorothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(F)s1
InChIInChI=1S/C4H3FO3S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H,6,7,8)
InChIKeyIRSOQCKQHGDEFR-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.13
Rot. Bonds1

About 5-fluorothiophene-2-sulfonic acid

5-fluorothiophene-2-sulfonic acid (PubChem CID 126750007) has the molecular formula C4H3FO3S2 and a molecular weight of 182.20 g/mol. Its IUPAC name is 5-fluorothiophene-2-sulfonic acid.

Molecular Properties

Compound Name5-fluorothiophene-2-sulfonic acid
PubChem CID126750007
Molecular FormulaC4H3FO3S2
Molecular Weight182.20 g/mol
Exact Mass181.95
IUPAC Name5-fluorothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1ccc(F)s1
InChIInChI=1S/C4H3FO3S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H,6,7,8)
InChIKeyIRSOQCKQHGDEFR-UHFFFAOYSA-N
XLogP1.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-fluorothiophene-2-sulfonic acid?
The IUPAC name of 5-fluorothiophene-2-sulfonic acid (CID 126750007) is 5-fluorothiophene-2-sulfonic acid.
What is the SMILES notation for 5-fluorothiophene-2-sulfonic acid?
The canonical SMILES for 5-fluorothiophene-2-sulfonic acid is O=S(=O)(O)c1ccc(F)s1.
What is the InChIKey of 5-fluorothiophene-2-sulfonic acid?
The InChIKey is IRSOQCKQHGDEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FO3S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H,6,7,8).
What are the key properties of 5-fluorothiophene-2-sulfonic acid?
5-fluorothiophene-2-sulfonic acid has a molecular weight of 182.20 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorothiophene-2-sulfonic acid is sourced from PubChem (CID 126750007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).