1-Ethylsulfanylsulfonyl-4-methylbenzene
TL;DR: 1-Ethylsulfanylsulfonyl-4-methylbenzene (CAS 28519-30-4) is a chemical compound with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfanylsulfonyl-4-methylbenzene
Also Known As: Thioethyl compound, S-ethyl p-toluenethiosulfonate, 1-ethylsulfanylsulfonyl-4-methylbenzene, Toluene sulfonic acid thioethyl ester, S-ethyl 4-methylbenzenesulfonothioate
| Molecular Formula | C9H12O2S2 |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.02788 |
| Heavy Atoms | 13 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 28519-30-4 |
|---|---|
| SMILES | CCSS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | ZHDRHFQEQCTJNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethylsulfanylsulfonyl-4-methylbenzene (CAS 28519-30-4), with molecular formula C9H12O2S2 and molecular weight 216.03 g/mol. IUPAC: 1-ethylsulfanylsulfonyl-4-methylbenzene.
Chemical Property Profile of 1-Ethylsulfanylsulfonyl-4-methylbenzene
Property Insights of 1-Ethylsulfanylsulfonyl-4-methylbenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylsulfanylsulfonyl-4-methylbenzene. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethylsulfanylsulfonyl-4-methylbenzene. Following Lipinski's Rule of Five, 1-Ethylsulfanylsulfonyl-4-methylbenzene has 0 hydrogen bond donor(s) and 3 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 1-Ethylsulfanylsulfonyl-4-methylbenzene?
The CAS number of 1-Ethylsulfanylsulfonyl-4-methylbenzene is 28519-30-4.
What is the molecular formula of 1-Ethylsulfanylsulfonyl-4-methylbenzene?
The molecular formula of 1-Ethylsulfanylsulfonyl-4-methylbenzene is C9H12O2S2.
What is the molecular weight of 1-Ethylsulfanylsulfonyl-4-methylbenzene?
The molecular weight of 1-Ethylsulfanylsulfonyl-4-methylbenzene is 216.03 g/mol.
Where can I buy 1-Ethylsulfanylsulfonyl-4-methylbenzene?
You can request a quote for 1-Ethylsulfanylsulfonyl-4-methylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylsulfanylsulfonyl-4-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylsulfanylsulfonyl-4-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.