[(E)-2-methylsulfonyloxyethenyl]-phenyliodanium

C9H10IO3S+ — CID 5325297

IUPAC[(E)-2-methylsulfonyloxyethenyl]-phenyliodanium
SMILESCS(=O)(=O)O/C=C/[I+]c1ccccc1
InChIInChI=1S/C9H10IO3S/c1-14(11,12)13-8-7-10-9-5-3-2-4-6-9/h2-8H,1H3/q+1/b8-7+
InChIKeyOSXNSNSUSZGJSP-BQYQJAHWSA-N
MW325.15 g/mol
LogP-1.61
Rot. Bonds4

About [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium

[(E)-2-methylsulfonyloxyethenyl]-phenyliodanium (PubChem CID 5325297) has the molecular formula C9H10IO3S+ and a molecular weight of 325.15 g/mol. Its IUPAC name is [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium.

Molecular Properties

Compound Name[(E)-2-methylsulfonyloxyethenyl]-phenyliodanium
PubChem CID5325297
Molecular FormulaC9H10IO3S+
Molecular Weight325.15 g/mol
Exact Mass324.94
IUPAC Name[(E)-2-methylsulfonyloxyethenyl]-phenyliodanium
SMILESCS(=O)(=O)O/C=C/[I+]c1ccccc1
InChIInChI=1S/C9H10IO3S/c1-14(11,12)13-8-7-10-9-5-3-2-4-6-9/h2-8H,1H3/q+1/b8-7+
InChIKeyOSXNSNSUSZGJSP-BQYQJAHWSA-N
XLogP-1.61
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 5-1.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]-[4-[(E)-2-(trifluoromethylsulfonyloxy)ethenyl]iodoniophenyl]iodanium
CID 101039933
phenyl-[(E)-prop-1-enyl]iodanium
CID 11290489
[(E)-3-methoxyprop-1-enyl]-phenyliodanium
CID 10689983
[(Z)-2-(4-chlorobenzoyl)oxyethenyl]-phenyliodanium tetrafluoroborate
CID 11155678
[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
CID 121416459
N-methyl-3-phenylcyclobutane-1-sulfonamide
CID 165445875
(3-phenyl-2,3-dihydro-1H-inden-1-yl) methanesulfonate
CID 20675574
(2-methylsulfonylcyclopropyl)benzene
CID 89149052
[(E)-dec-1-enyl]-phenyliodanium
CID 10906117
(4-methoxyphenyl)-(2-phenylethenyl)iodanium
CID 88650705
(1,1-dioxo-4-phenylthiolan-3-yl) methanesulfonate
CID 130439491
methanesulfonoperoxoic acid;styrene
CID 87237870

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium?
The IUPAC name of [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium (CID 5325297) is [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium.
What is the SMILES notation for [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium?
The canonical SMILES for [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium is CS(=O)(=O)O/C=C/[I+]c1ccccc1.
What is the InChIKey of [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium?
The InChIKey is OSXNSNSUSZGJSP-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H10IO3S/c1-14(11,12)13-8-7-10-9-5-3-2-4-6-9/h2-8H,1H3/q+1/b8-7+.
What are the key properties of [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium?
[(E)-2-methylsulfonyloxyethenyl]-phenyliodanium has a molecular weight of 325.15 g/mol, XLogP of -1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylsulfonyloxyethenyl]-phenyliodanium is sourced from PubChem (CID 5325297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).