Diiodomethyl p-tolyl sulfone
TL;DR: Diiodomethyl p-tolyl sulfone (CAS 20018-09-1) is a chemical compound with molecular formula C8H8I2O2S and molecular weight 421.83344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(diiodomethylsulfonyl)-4-methylbenzene
Also Known As: 1-((Diiodomethyl)sulfonyl)-4-methylbenzene, Amical 48, Diiodomethyl p-tolyl sulfone, Amical Flowable, diiodomethyltolylsulfone
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H8I2O2S |
| Molecular Weight | 421.83344 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 421.83344 Da |
| Heavy Atoms | 13 |
| Complexity | 248.0 |
| Melting Point | 136 °C (range of 149-152 °C) |
| Boiling Point | 394 °C |
| Density | 2.20 |
| Vapor Pressure | 0.00000187 [mmHg] |
| Solubility | In water, 10 mg/L at 25 °C |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(I)I |
| InChIKey | XOILGBPDXMVFIP-UHFFFAOYSA-N |
Chemical Property Profile of Diiodomethyl p-tolyl sulfone
Property Insights of Diiodomethyl p-tolyl sulfone
The XLogP value of 3.8 indicates that Diiodomethyl p-tolyl sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.5 Ų, Diiodomethyl p-tolyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diiodomethyl p-tolyl sulfone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diiodomethyl p-tolyl sulfone?
The CAS number of Diiodomethyl p-tolyl sulfone is 20018-09-1.
What is the molecular formula of Diiodomethyl p-tolyl sulfone?
The molecular formula of Diiodomethyl p-tolyl sulfone is C8H8I2O2S.
What is the molecular weight of Diiodomethyl p-tolyl sulfone?
The molecular weight of Diiodomethyl p-tolyl sulfone is 421.83344 g/mol.
Where can I buy Diiodomethyl p-tolyl sulfone?
You can request a quote for Diiodomethyl p-tolyl sulfone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diiodomethyl p-tolyl sulfone?
Yes, CoreyChem provides custom synthesis services for Diiodomethyl p-tolyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.