Ethynyl p-Tolyl Sulfone
TL;DR: Ethynyl p-Tolyl Sulfone (CAS 13894-21-8) is a chemical compound with molecular formula C9H8O2S and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynylsulfonyl-4-methylbenzene
Also Known As: Ethynyl p-tolyl sulfone, Tosylacetylene, Tosylethyne, 1-Tosylethyne, 1-Tosylacetylene
| Molecular Formula | C9H8O2S |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 1.35942 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.0245 |
| Heavy Atoms | 12 |
| Complexity | 406.8369 |
Chemical Identifiers
| CAS Number | 13894-21-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C#C |
Product Overview
Ethynyl p-Tolyl Sulfone (CAS 13894-21-8), with molecular formula C9H8O2S and molecular weight 180.02 g/mol. IUPAC: 1-ethynylsulfonyl-4-methylbenzene.
Chemical Property Profile of Ethynyl p-Tolyl Sulfone
Property Insights of Ethynyl p-Tolyl Sulfone
The XLogP value of 1.35942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethynyl p-Tolyl Sulfone. With a topological polar surface area (TPSA) of 34.14 Ų, Ethynyl p-Tolyl Sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethynyl 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
Frequently Asked Questions
What is the CAS number of Ethynyl p-Tolyl Sulfone?
The CAS number of Ethynyl p-Tolyl Sulfone is 13894-21-8.
What is the molecular formula of Ethynyl p-Tolyl Sulfone?
The molecular formula of Ethynyl p-Tolyl Sulfone is C9H8O2S.
What is the molecular weight of Ethynyl p-Tolyl Sulfone?
The molecular weight of Ethynyl p-Tolyl Sulfone is 180.02 g/mol.
Where can I buy Ethynyl p-Tolyl Sulfone?
You can request a quote for Ethynyl p-Tolyl Sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethynyl p-Tolyl Sulfone?
Yes, KEHONG BIO provides custom synthesis services for Ethynyl p-Tolyl Sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.