S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate
TL;DR: S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate (CAS 303104-27-0) is a chemical compound with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl 2-(1,3-dioxoisoindol-2-yl)oxyethylsulfanylmethanethioate
Also Known As: S-(2-((1,3-Dioxoisoindolin-2-yl)oxy)ethyl) O-ethyl carbonodithioate, 2-(2-ethoxycarbothioylsulfanylethoxy)isoindole-1,3-dione, 2{2[(ethoxycarbothioyl)sulfanyl]ethoxy}1,3dioxoisoindoline, O-ethyl 2-(1,3-dioxoisoindol-2-yl)oxyethylsulfanylmethanethioate, S-(2-((1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)OXY)ETHYL) O-ETHYL DITHIOCARBONATE
| Molecular Formula | C13H13NO4S2 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 2.2688 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.0286 |
| Heavy Atoms | 20 |
| Complexity | 511.9276 |
Chemical Identifiers
| CAS Number | 303104-27-0 |
|---|---|
| SMILES | CCOC(=S)SCCON1C(=O)C2=CC=CC=C2C1=O |
Product Overview
S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate (CAS 303104-27-0), with molecular formula C13H13NO4S2 and molecular weight 311.03 g/mol. IUPAC: O-ethyl 2-(1,3-dioxoisoindol-2-yl)oxyethylsulfanylmethanethioate.
Chemical Property Profile of S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate
Property Insights of S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate
The XLogP value of 2.2688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate. With a topological polar surface area (TPSA) of 55.84 Ų, S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate has 0 hydrogen bond donor(s) and 6 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 S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate?
The CAS number of S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate is 303104-27-0.
What is the molecular formula of S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate?
The molecular formula of S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate is C13H13NO4S2.
What is the molecular weight of S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate?
The molecular weight of S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate is 311.03 g/mol.
Where can I buy S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate?
You can request a quote for S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL)oxy)ethyl) O-ethyl dithiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.