5-propan-2-ylfuran-2-sulfonic acid

C7H10O4S — CID 118474376

IUPAC5-propan-2-ylfuran-2-sulfonic acid
SMILESCC(C)c1ccc(S(=O)(=O)O)o1
InChIInChI=1S/C7H10O4S/c1-5(2)6-3-4-7(11-6)12(8,9)10/h3-5H,1-2H3,(H,8,9,10)
InChIKeyCSUDQYUNFQXJRM-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.65
Rot. Bonds2

About 5-propan-2-ylfuran-2-sulfonic acid

5-propan-2-ylfuran-2-sulfonic acid (PubChem CID 118474376) has the molecular formula C7H10O4S and a molecular weight of 190.22 g/mol. Its IUPAC name is 5-propan-2-ylfuran-2-sulfonic acid.

Molecular Properties

Compound Name5-propan-2-ylfuran-2-sulfonic acid
PubChem CID118474376
Molecular FormulaC7H10O4S
Molecular Weight190.22 g/mol
Exact Mass190.03
IUPAC Name5-propan-2-ylfuran-2-sulfonic acid
SMILESCC(C)c1ccc(S(=O)(=O)O)o1
InChIInChI=1S/C7H10O4S/c1-5(2)6-3-4-7(11-6)12(8,9)10/h3-5H,1-2H3,(H,8,9,10)
InChIKeyCSUDQYUNFQXJRM-UHFFFAOYSA-N
XLogP1.65
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.65
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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Related Compounds

ethane;5-ethylfuran-2-sulfonic acid
CID 159027282
5-[3-(2-methylpropylamino)-3-oxopropyl]furan-2-sulfonic acid
CID 19603950
5-heptylfuran-2-sulfonic acid
CID 129105151
5-diphenylphosphanylfuran-2-sulfonic acid
CID 142652032
5-[3-(5-methylfuran-2-yl)-3-oxopropanoyl]furan-2-sulfonic acid
CID 158584989
5-chloro-1-benzofuran-2-sulfonic acid
CID 174798202
5-hexadecanoylfuran-2-sulfonic acid
CID 155143261
5-(3,3,5,5-tetramethylhexyl)furan-2-sulfonic acid
CID 155158089
cumene;sulfurochloridic acid
CID 23037521
2,6-di(propan-2-yl)benzenesulfonic acid
CID 18935127
5-[10-(5-methylfuran-2-yl)-10-oxodecanoyl]furan-2-sulfonic acid
CID 165038590
3-amino-4-propan-2-ylbenzenesulfonic acid
CID 139685874

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylfuran-2-sulfonic acid?
The IUPAC name of 5-propan-2-ylfuran-2-sulfonic acid (CID 118474376) is 5-propan-2-ylfuran-2-sulfonic acid.
What is the SMILES notation for 5-propan-2-ylfuran-2-sulfonic acid?
The canonical SMILES for 5-propan-2-ylfuran-2-sulfonic acid is CC(C)c1ccc(S(=O)(=O)O)o1.
What is the InChIKey of 5-propan-2-ylfuran-2-sulfonic acid?
The InChIKey is CSUDQYUNFQXJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4S/c1-5(2)6-3-4-7(11-6)12(8,9)10/h3-5H,1-2H3,(H,8,9,10).
What are the key properties of 5-propan-2-ylfuran-2-sulfonic acid?
5-propan-2-ylfuran-2-sulfonic acid has a molecular weight of 190.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylfuran-2-sulfonic acid is sourced from PubChem (CID 118474376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).