Sulfone, allyl p-tolyl
TL;DR: Sulfone, allyl p-tolyl (CAS 3112-87-6) is a chemical compound with molecular formula C10H12O2S and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-prop-2-enylsulfonylbenzene
Also Known As: Allyl p-tolyl sulfone, p-Tolyl allyl sulfone, Sulfone, allyl p-tolyl, 1-(allylsulfonyl)-4-methylbenzene, 3-Tosyl-1-propene
| Molecular Formula | C10H12O2S |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.0558 |
| Heavy Atoms | 13 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 3112-87-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC=C |
| InChIKey | QTTZZUJXQPUOTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sulfone, allyl p-tolyl (CAS 3112-87-6), with molecular formula C10H12O2S and molecular weight 196.06 g/mol. IUPAC: 1-methyl-4-prop-2-enylsulfonylbenzene.
Chemical Property Profile of Sulfone, allyl p-tolyl
Property Insights of Sulfone, allyl p-tolyl
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfone, allyl p-tolyl. With a topological polar surface area (TPSA) of 42.5 Ų, Sulfone, allyl p-tolyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfone, allyl p-tolyl 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 Sulfone, allyl p-tolyl?
The CAS number of Sulfone, allyl p-tolyl is 3112-87-6.
What is the molecular formula of Sulfone, allyl p-tolyl?
The molecular formula of Sulfone, allyl p-tolyl is C10H12O2S.
What is the molecular weight of Sulfone, allyl p-tolyl?
The molecular weight of Sulfone, allyl p-tolyl is 196.06 g/mol.
Where can I buy Sulfone, allyl p-tolyl?
You can request a quote for Sulfone, allyl p-tolyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfone, allyl p-tolyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfone, allyl p-tolyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.