ethanesulfonic acid;pentahydrofluoride;hydroiodide

C2H12F5IO3S — CID 174676676

IUPACethanesulfonic acid;pentahydrofluoride;hydroiodide
SMILESCCS(=O)(=O)O.F.F.F.F.F.I
InChIInChI=1S/C2H6O3S.5FH.HI/c1-2-6(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);6*1H
InChIKeyDXRTYNAQDLOACO-UHFFFAOYSA-N
MW338.08 g/mol
LogP1.27
Rot. Bonds1

About ethanesulfonic acid;pentahydrofluoride;hydroiodide

ethanesulfonic acid;pentahydrofluoride;hydroiodide (PubChem CID 174676676) has the molecular formula C2H12F5IO3S and a molecular weight of 338.08 g/mol. Its IUPAC name is ethanesulfonic acid;pentahydrofluoride;hydroiodide.

Molecular Properties

Compound Nameethanesulfonic acid;pentahydrofluoride;hydroiodide
PubChem CID174676676
Molecular FormulaC2H12F5IO3S
Molecular Weight338.08 g/mol
Exact Mass337.95
IUPAC Nameethanesulfonic acid;pentahydrofluoride;hydroiodide
SMILESCCS(=O)(=O)O.F.F.F.F.F.I
InChIInChI=1S/C2H6O3S.5FH.HI/c1-2-6(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);6*1H
InChIKeyDXRTYNAQDLOACO-UHFFFAOYSA-N
XLogP1.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanesulfonic acid;pentahydrofluoride;hydroiodide?
The IUPAC name of ethanesulfonic acid;pentahydrofluoride;hydroiodide (CID 174676676) is ethanesulfonic acid;pentahydrofluoride;hydroiodide.
What is the SMILES notation for ethanesulfonic acid;pentahydrofluoride;hydroiodide?
The canonical SMILES for ethanesulfonic acid;pentahydrofluoride;hydroiodide is CCS(=O)(=O)O.F.F.F.F.F.I.
What is the InChIKey of ethanesulfonic acid;pentahydrofluoride;hydroiodide?
The InChIKey is DXRTYNAQDLOACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3S.5FH.HI/c1-2-6(3,4)5;;;;;;/h2H2,1H3,(H,3,4,5);6*1H.
What are the key properties of ethanesulfonic acid;pentahydrofluoride;hydroiodide?
ethanesulfonic acid;pentahydrofluoride;hydroiodide has a molecular weight of 338.08 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanesulfonic acid;pentahydrofluoride;hydroiodide is sourced from PubChem (CID 174676676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).