bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid

C6H5IO3S — CID 174520862

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid
SMILESO=S(=O)(O)I.c1cc2ccc1-2
InChIInChI=1S/C6H4.HIO3S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H,2,3,4)
InChIKeyUUUUQMPQALXYGQ-UHFFFAOYSA-N
MW284.07 g/mol
LogP1.89
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid

bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid (PubChem CID 174520862) has the molecular formula C6H5IO3S and a molecular weight of 284.07 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid
PubChem CID174520862
Molecular FormulaC6H5IO3S
Molecular Weight284.07 g/mol
Exact Mass283.90
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid
SMILESO=S(=O)(O)I.c1cc2ccc1-2
InChIInChI=1S/C6H4.HIO3S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H,2,3,4)
InChIKeyUUUUQMPQALXYGQ-UHFFFAOYSA-N
XLogP1.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 51.89
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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Related Compounds

Bicyclo[2.2.0]hexa-1,3,5-triene;hydrogen sulfite
CID 18183251
Bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid
CID 19033662
Bicyclo[2.2.0]hexa-1,3,5-triene;ethenylboronic acid
CID 21113416
Bicyclo[2.2.0]hexa-1,3,5-triene;boric acid
CID 21879640
Bicyclo[2.2.0]hexa-1,3,5-triene;sulfur dioxide
CID 22101690
CID 22169592
CID 22169592
CID 22266984
CID 22266984
Bicyclo[2.2.0]hexa-1,3,5-triene;phosphonous acid
CID 22734567
Bicyclo[2.2.0]hexa-1,3,5-triene;sulfane
CID 67528957
Bicyclo[2.2.0]hexa-1,3,5-triene;hydroxylamine
CID 70018631
Bicyclo[2.2.0]hexa-1,3,5-triene;carbonic acid
CID 70253728
Bicyclo[2.2.0]hexa-1,3,5-triene;hydrate
CID 70289585

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid (CID 174520862) is bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid is O=S(=O)(O)I.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid?
The InChIKey is UUUUQMPQALXYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.HIO3S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H,2,3,4).
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid?
bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid has a molecular weight of 284.07 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;sulfuroiodidic acid is sourced from PubChem (CID 174520862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).