(4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene
TL;DR: (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene (CAS 76242-11-0) is a chemical compound with molecular formula C14H20OS2 and molecular weight 268.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene
Also Known As: (4-ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene, [(E)-4-ethylsulfanyl-4-ethylsulfinylbut-1-enyl]benzene
| Molecular Formula | C14H20OS2 |
|---|---|
| Molecular Weight | 268.10 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 268.09555 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 76242-11-0 |
|---|---|
| SMILES | CCSC(CC=CC1=CC=CC=C1)S(=O)CC |
| InChIKey | AJTNDUWGVVYQGX-UHFFFAOYSA-N |
Product Overview
(4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene (CAS 76242-11-0), with molecular formula C14H20OS2 and molecular weight 268.10 g/mol. IUPAC: (4-ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene.
Chemical Property Profile of (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene
Property Insights of (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene
The XLogP value of 3.4 indicates that (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene. Following Lipinski's Rule of Five, (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene 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 (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene?
The CAS number of (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene is 76242-11-0.
What is the molecular formula of (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene?
The molecular formula of (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene is C14H20OS2.
What is the molecular weight of (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene?
The molecular weight of (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene is 268.10 g/mol.
Where can I buy (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene?
You can request a quote for (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Ethylsulfanyl-4-ethylsulfinylbut-1-enyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.