2-sulfofuran-3-carboxylic acid

C5H4O6S — CID 19603891

IUPAC2-sulfofuran-3-carboxylic acid
SMILESO=C(O)c1ccoc1S(=O)(=O)O
InChIInChI=1S/C5H4O6S/c6-4(7)3-1-2-11-5(3)12(8,9)10/h1-2H,(H,6,7)(H,8,9,10)
InChIKeyLAKIGMXIFNVKLK-UHFFFAOYSA-N
MW192.15 g/mol
LogP0.22
Rot. Bonds2

About 2-sulfofuran-3-carboxylic acid

2-sulfofuran-3-carboxylic acid (PubChem CID 19603891) has the molecular formula C5H4O6S and a molecular weight of 192.15 g/mol. Its IUPAC name is 2-sulfofuran-3-carboxylic acid.

Molecular Properties

Compound Name2-sulfofuran-3-carboxylic acid
PubChem CID19603891
Molecular FormulaC5H4O6S
Molecular Weight192.15 g/mol
Exact Mass191.97
IUPAC Name2-sulfofuran-3-carboxylic acid
SMILESO=C(O)c1ccoc1S(=O)(=O)O
InChIInChI=1S/C5H4O6S/c6-4(7)3-1-2-11-5(3)12(8,9)10/h1-2H,(H,6,7)(H,8,9,10)
InChIKeyLAKIGMXIFNVKLK-UHFFFAOYSA-N
XLogP0.22
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 50.22
H-Bond Donors ≤ 52
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 2-sulfofuran-3-carboxylic acid?
The IUPAC name of 2-sulfofuran-3-carboxylic acid (CID 19603891) is 2-sulfofuran-3-carboxylic acid.
What is the SMILES notation for 2-sulfofuran-3-carboxylic acid?
The canonical SMILES for 2-sulfofuran-3-carboxylic acid is O=C(O)c1ccoc1S(=O)(=O)O.
What is the InChIKey of 2-sulfofuran-3-carboxylic acid?
The InChIKey is LAKIGMXIFNVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O6S/c6-4(7)3-1-2-11-5(3)12(8,9)10/h1-2H,(H,6,7)(H,8,9,10).
What are the key properties of 2-sulfofuran-3-carboxylic acid?
2-sulfofuran-3-carboxylic acid has a molecular weight of 192.15 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfofuran-3-carboxylic acid is sourced from PubChem (CID 19603891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).