furan;sulfuric acid

C8H10O6S — CID 174417232

IUPACfuran;sulfuric acid
SMILESO=S(=O)(O)O.c1ccoc1.c1ccoc1
InChIInChI=1S/2C4H4O.H2O4S/c2*1-2-4-5-3-1;1-5(2,3)4/h2*1-4H;(H2,1,2,3,4)
InChIKeyJWTXKJLRHGLNMF-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.91
Rot. Bonds

About furan;sulfuric acid

furan;sulfuric acid (PubChem CID 174417232) has the molecular formula C8H10O6S and a molecular weight of 234.23 g/mol. Its IUPAC name is furan;sulfuric acid.

Molecular Properties

Compound Namefuran;sulfuric acid
PubChem CID174417232
Molecular FormulaC8H10O6S
Molecular Weight234.23 g/mol
Exact Mass234.02
IUPAC Namefuran;sulfuric acid
SMILESO=S(=O)(O)O.c1ccoc1.c1ccoc1
InChIInChI=1S/2C4H4O.H2O4S/c2*1-2-4-5-3-1;1-5(2,3)4/h2*1-4H;(H2,1,2,3,4)
InChIKeyJWTXKJLRHGLNMF-UHFFFAOYSA-N
XLogP1.91
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.91
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 furan;sulfuric acid?
The IUPAC name of furan;sulfuric acid (CID 174417232) is furan;sulfuric acid.
What is the SMILES notation for furan;sulfuric acid?
The canonical SMILES for furan;sulfuric acid is O=S(=O)(O)O.c1ccoc1.c1ccoc1.
What is the InChIKey of furan;sulfuric acid?
The InChIKey is JWTXKJLRHGLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H4O.H2O4S/c2*1-2-4-5-3-1;1-5(2,3)4/h2*1-4H;(H2,1,2,3,4).
What are the key properties of furan;sulfuric acid?
furan;sulfuric acid has a molecular weight of 234.23 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan;sulfuric acid is sourced from PubChem (CID 174417232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).