4-(4-iodophenyl)sulfanylbenzaldehyde

C13H9IOS — CID 91880478

IUPAC4-(4-iodophenyl)sulfanylbenzaldehyde
SMILESO=Cc1ccc(Sc2ccc(I)cc2)cc1
InChIInChI=1S/C13H9IOS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
InChIKeyTVXBIRCQNIKBOF-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.25
Rot. Bonds3

About 4-(4-iodophenyl)sulfanylbenzaldehyde

4-(4-iodophenyl)sulfanylbenzaldehyde (PubChem CID 91880478) has the molecular formula C13H9IOS and a molecular weight of 340.19 g/mol. Its IUPAC name is 4-(4-iodophenyl)sulfanylbenzaldehyde.

Molecular Properties

Compound Name4-(4-iodophenyl)sulfanylbenzaldehyde
PubChem CID91880478
Molecular FormulaC13H9IOS
Molecular Weight340.19 g/mol
Exact Mass339.94
IUPAC Name4-(4-iodophenyl)sulfanylbenzaldehyde
SMILESO=Cc1ccc(Sc2ccc(I)cc2)cc1
InChIInChI=1S/C13H9IOS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H
InChIKeyTVXBIRCQNIKBOF-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(4-iodophenyl)sulfanylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis[(4-iodophenyl)sulfanyl]benzene
CID 102405852
4-[4-(4-iodophenyl)phenyl]benzaldehyde
CID 58568967
4-(2-hydroxyethylsulfanyl)benzaldehyde;4-iodobenzaldehyde
CID 159643020
4-(4-iodophenyl)sulfanylphenol
CID 91879526
1-[4-(4-iodophenyl)sulfanylphenyl]ethanone
CID 71026335
N-(4-iodophenyl)-1-[4-(4-methylphenyl)sulfanylphenyl]methanimine
CID 126239325
benzene;terephthalaldehyde
CID 163498156
4-[(4-iodophenyl)methoxy]benzaldehyde
CID 882484
4-(4-iodophenyl)sulfanylbenzonitrile
CID 91877786
4-(1H-imidazol-2-ylsulfanyl)benzaldehyde
CID 107782974
4-pyrimidin-4-ylsulfanylbenzaldehyde
CID 63802248
6-(4-iodophenyl)pyridine-3-carbaldehyde
CID 24729737

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)sulfanylbenzaldehyde?
The IUPAC name of 4-(4-iodophenyl)sulfanylbenzaldehyde (CID 91880478) is 4-(4-iodophenyl)sulfanylbenzaldehyde.
What is the SMILES notation for 4-(4-iodophenyl)sulfanylbenzaldehyde?
The canonical SMILES for 4-(4-iodophenyl)sulfanylbenzaldehyde is O=Cc1ccc(Sc2ccc(I)cc2)cc1.
What is the InChIKey of 4-(4-iodophenyl)sulfanylbenzaldehyde?
The InChIKey is TVXBIRCQNIKBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9IOS/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-9H.
What are the key properties of 4-(4-iodophenyl)sulfanylbenzaldehyde?
4-(4-iodophenyl)sulfanylbenzaldehyde has a molecular weight of 340.19 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)sulfanylbenzaldehyde is sourced from PubChem (CID 91880478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).