phenyl(thiophen-2-yl)iodanium

C10H8IS+ — CID 3098543

IUPACphenyl(thiophen-2-yl)iodanium
SMILESc1ccc([I+]c2cccs2)cc1
InChIInChI=1S/C10H8IS/c1-2-5-9(6-3-1)11-10-7-4-8-12-10/h1-8H/q+1
InChIKeyRKNCUZWOCPWMAU-UHFFFAOYSA-N
MW287.15 g/mol
LogP-0.12
Rot. Bonds2

About phenyl(thiophen-2-yl)iodanium

phenyl(thiophen-2-yl)iodanium (PubChem CID 3098543) has the molecular formula C10H8IS+ and a molecular weight of 287.15 g/mol. Its IUPAC name is phenyl(thiophen-2-yl)iodanium.

Molecular Properties

Compound Namephenyl(thiophen-2-yl)iodanium
PubChem CID3098543
Molecular FormulaC10H8IS+
Molecular Weight287.15 g/mol
Exact Mass286.94
IUPAC Namephenyl(thiophen-2-yl)iodanium
SMILESc1ccc([I+]c2cccs2)cc1
InChIInChI=1S/C10H8IS/c1-2-5-9(6-3-1)11-10-7-4-8-12-10/h1-8H/q+1
InChIKeyRKNCUZWOCPWMAU-UHFFFAOYSA-N
XLogP-0.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl(thiophen-2-yl)iodanium?
The IUPAC name of phenyl(thiophen-2-yl)iodanium (CID 3098543) is phenyl(thiophen-2-yl)iodanium.
What is the SMILES notation for phenyl(thiophen-2-yl)iodanium?
The canonical SMILES for phenyl(thiophen-2-yl)iodanium is c1ccc([I+]c2cccs2)cc1.
What is the InChIKey of phenyl(thiophen-2-yl)iodanium?
The InChIKey is RKNCUZWOCPWMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8IS/c1-2-5-9(6-3-1)11-10-7-4-8-12-10/h1-8H/q+1.
What are the key properties of phenyl(thiophen-2-yl)iodanium?
phenyl(thiophen-2-yl)iodanium has a molecular weight of 287.15 g/mol, XLogP of -0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(thiophen-2-yl)iodanium is sourced from PubChem (CID 3098543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).