4-(4-iodophenyl)sulfanylphenol

C12H9IOS — CID 91879526

IUPAC4-(4-iodophenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(I)cc2)cc1
InChIInChI=1S/C12H9IOS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
InChIKeyGQBSRVCZWSLIFC-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.15
Rot. Bonds2

About 4-(4-iodophenyl)sulfanylphenol

4-(4-iodophenyl)sulfanylphenol (PubChem CID 91879526) has the molecular formula C12H9IOS and a molecular weight of 328.17 g/mol. Its IUPAC name is 4-(4-iodophenyl)sulfanylphenol.

Molecular Properties

Compound Name4-(4-iodophenyl)sulfanylphenol
PubChem CID91879526
Molecular FormulaC12H9IOS
Molecular Weight328.17 g/mol
Exact Mass327.94
IUPAC Name4-(4-iodophenyl)sulfanylphenol
SMILESOc1ccc(Sc2ccc(I)cc2)cc1
InChIInChI=1S/C12H9IOS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H
InChIKeyGQBSRVCZWSLIFC-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)sulfanylphenol?
The IUPAC name of 4-(4-iodophenyl)sulfanylphenol (CID 91879526) is 4-(4-iodophenyl)sulfanylphenol.
What is the SMILES notation for 4-(4-iodophenyl)sulfanylphenol?
The canonical SMILES for 4-(4-iodophenyl)sulfanylphenol is Oc1ccc(Sc2ccc(I)cc2)cc1.
What is the InChIKey of 4-(4-iodophenyl)sulfanylphenol?
The InChIKey is GQBSRVCZWSLIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9IOS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,14H.
What are the key properties of 4-(4-iodophenyl)sulfanylphenol?
4-(4-iodophenyl)sulfanylphenol has a molecular weight of 328.17 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)sulfanylphenol is sourced from PubChem (CID 91879526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).