4-(Iodomethylsulfonyl)toluene
TL;DR: 4-(Iodomethylsulfonyl)toluene (CAS 37891-96-6) is a chemical compound with molecular formula C8H9IO2S and molecular weight 295.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(iodomethylsulfonyl)-4-methylbenzene
Also Known As: Iodomethyl p-tolyl sulfone, 4-(Iodomethylsulfonyl)toluene, p-Tolyl iodomethyl sulfone, p-(Iodomethylsulfonyl)toluene, 1-(iodomethylsulfonyl)-4-methylbenzene
| Molecular Formula | C8H9IO2S |
|---|---|
| Molecular Weight | 295.94 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.9368 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 37891-96-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CI |
| InChIKey | FHXRXZOSNIASHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Iodomethylsulfonyl)toluene (CAS 37891-96-6), with molecular formula C8H9IO2S and molecular weight 295.94 g/mol. IUPAC: 1-(iodomethylsulfonyl)-4-methylbenzene.
Chemical Property Profile of 4-(Iodomethylsulfonyl)toluene
Property Insights of 4-(Iodomethylsulfonyl)toluene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Iodomethylsulfonyl)toluene. With a topological polar surface area (TPSA) of 42.5 Ų, 4-(Iodomethylsulfonyl)toluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Iodomethylsulfonyl)toluene 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
Frequently Asked Questions
What is the CAS number of 4-(Iodomethylsulfonyl)toluene?
The CAS number of 4-(Iodomethylsulfonyl)toluene is 37891-96-6.
What is the molecular formula of 4-(Iodomethylsulfonyl)toluene?
The molecular formula of 4-(Iodomethylsulfonyl)toluene is C8H9IO2S.
What is the molecular weight of 4-(Iodomethylsulfonyl)toluene?
The molecular weight of 4-(Iodomethylsulfonyl)toluene is 295.94 g/mol.
Where can I buy 4-(Iodomethylsulfonyl)toluene?
You can request a quote for 4-(Iodomethylsulfonyl)toluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Iodomethylsulfonyl)toluene?
Yes, KEHONG BIO provides custom synthesis services for 4-(Iodomethylsulfonyl)toluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.