iodobenzene;sulfuryl dichloride

C6H5Cl2IO2S — CID 87648200

IUPACiodobenzene;sulfuryl dichloride
SMILESIc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H5I.Cl2O2S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;
InChIKeyHGALOWHSZJDJIR-UHFFFAOYSA-N
MW338.98 g/mol
LogP3.00
Rot. Bonds

About iodobenzene;sulfuryl dichloride

iodobenzene;sulfuryl dichloride (PubChem CID 87648200) has the molecular formula C6H5Cl2IO2S and a molecular weight of 338.98 g/mol. Its IUPAC name is iodobenzene;sulfuryl dichloride.

Molecular Properties

Compound Nameiodobenzene;sulfuryl dichloride
PubChem CID87648200
Molecular FormulaC6H5Cl2IO2S
Molecular Weight338.98 g/mol
Exact Mass337.84
IUPAC Nameiodobenzene;sulfuryl dichloride
SMILESIc1ccccc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C6H5I.Cl2O2S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;
InChIKeyHGALOWHSZJDJIR-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.98
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iodobenzene;sulfuryl dichloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of iodobenzene;sulfuryl dichloride?
The IUPAC name of iodobenzene;sulfuryl dichloride (CID 87648200) is iodobenzene;sulfuryl dichloride.
What is the SMILES notation for iodobenzene;sulfuryl dichloride?
The canonical SMILES for iodobenzene;sulfuryl dichloride is Ic1ccccc1.O=S(=O)(Cl)Cl.
What is the InChIKey of iodobenzene;sulfuryl dichloride?
The InChIKey is HGALOWHSZJDJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I.Cl2O2S/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H;.
What are the key properties of iodobenzene;sulfuryl dichloride?
iodobenzene;sulfuryl dichloride has a molecular weight of 338.98 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodobenzene;sulfuryl dichloride is sourced from PubChem (CID 87648200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).