p-Tolyl methyl sulfone
TL;DR: p-Tolyl methyl sulfone (CAS 3185-99-7) is a chemical compound with molecular formula C8H10O2S and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-methylsulfonylbenzene
Also Known As: Methyl p-tolyl sulfone, 1-Methyl-4-(methylsulfonyl)benzene, 4-(Methylsulfonyl)toluene, p-Tolyl methyl sulfone, Crystar
| Molecular Formula | C8H10O2S |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04015 |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 3185-99-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C |
| InChIKey | YYDNBUBMBZRNQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Tolyl methyl sulfone (CAS 3185-99-7), with molecular formula C8H10O2S and molecular weight 170.04 g/mol. IUPAC: 1-methyl-4-methylsulfonylbenzene.
Chemical Property Profile of p-Tolyl methyl sulfone
Property Insights of p-Tolyl methyl sulfone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for p-Tolyl methyl sulfone. With a topological polar surface area (TPSA) of 42.5 Ų, p-Tolyl methyl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolyl methyl 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
Frequently Asked Questions
What is the CAS number of p-Tolyl methyl sulfone?
The CAS number of p-Tolyl methyl sulfone is 3185-99-7.
What is the molecular formula of p-Tolyl methyl sulfone?
The molecular formula of p-Tolyl methyl sulfone is C8H10O2S.
What is the molecular weight of p-Tolyl methyl sulfone?
The molecular weight of p-Tolyl methyl sulfone is 170.04 g/mol.
Where can I buy p-Tolyl methyl sulfone?
You can request a quote for p-Tolyl methyl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Tolyl methyl sulfone?
Yes, KEHONG BIO provides custom synthesis services for p-Tolyl methyl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.