(diphenyl-lambda3-iodanyl) hydrogen sulfate

C12H11IO4S — CID 14204912

IUPAC(diphenyl-lambda3-iodanyl) hydrogen sulfate
SMILESO=S(=O)(O)OI(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11IO4S/c14-18(15,16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15,16)
InChIKeyUJOFKASRQATKQW-UHFFFAOYSA-N
MW378.19 g/mol
LogP2.97
Rot. Bonds4

About (diphenyl-lambda3-iodanyl) hydrogen sulfate

(diphenyl-lambda3-iodanyl) hydrogen sulfate (PubChem CID 14204912) has the molecular formula C12H11IO4S and a molecular weight of 378.19 g/mol. Its IUPAC name is (diphenyl-lambda3-iodanyl) hydrogen sulfate.

Molecular Properties

Compound Name(diphenyl-lambda3-iodanyl) hydrogen sulfate
PubChem CID14204912
Molecular FormulaC12H11IO4S
Molecular Weight378.19 g/mol
Exact Mass377.94
IUPAC Name(diphenyl-lambda3-iodanyl) hydrogen sulfate
SMILESO=S(=O)(O)OI(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H11IO4S/c14-18(15,16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15,16)
InChIKeyUJOFKASRQATKQW-UHFFFAOYSA-N
XLogP2.97
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(diphenyl-λ3-iodanyl) trifluoromethanesulfonate;trifluoromethanesulfonic acid
CID 158041426
(diphenyl-λ3-iodanyl) methyl sulfate
CID 140653140
[(2-methylphenyl)-phenyl-λ3-iodanyl] trifluoromethanesulfonate
CID 142667561
[phenyl-(2,4,6-trimethylphenyl)-lambda3-iodanyl] trifluoromethanesulfonate
CID 15046624
sulfurothioic O-acid;toluene
CID 174461013
[hydroxy(phenyl)methyl] hydrogen sulfate
CID 157469459
[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenyl-λ3-iodanyl] ethanesulfonate
CID 139721225
[phenyl-[(1R,4S)-3-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]-7-oxabicyclo[2.2.1]hepta-2,5-dien-2-yl]-lambda3-iodanyl] trifluoromethanesulfonate
CID 14909246
[(5-methylfuran-2-yl)-phenyl-λ3-iodanyl] 4-methylbenzenesulfonate
CID 134930140
methyl hydrogen sulfate;phenol
CID 174688864
sulfuric acid;1,3-xylene
CID 70361760
(diphenyl-λ3-iodanyl)oxy-fluorophosphinic acid;fluorophosphonic acid
CID 172997880

Frequently Asked Questions

What is the IUPAC name of (diphenyl-lambda3-iodanyl) hydrogen sulfate?
The IUPAC name of (diphenyl-lambda3-iodanyl) hydrogen sulfate (CID 14204912) is (diphenyl-lambda3-iodanyl) hydrogen sulfate.
What is the SMILES notation for (diphenyl-lambda3-iodanyl) hydrogen sulfate?
The canonical SMILES for (diphenyl-lambda3-iodanyl) hydrogen sulfate is O=S(=O)(O)OI(c1ccccc1)c1ccccc1.
What is the InChIKey of (diphenyl-lambda3-iodanyl) hydrogen sulfate?
The InChIKey is UJOFKASRQATKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IO4S/c14-18(15,16)17-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,14,15,16).
What are the key properties of (diphenyl-lambda3-iodanyl) hydrogen sulfate?
(diphenyl-lambda3-iodanyl) hydrogen sulfate has a molecular weight of 378.19 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (diphenyl-lambda3-iodanyl) hydrogen sulfate is sourced from PubChem (CID 14204912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).