o-Ethyl o-pentyl dithiodicarbonate
TL;DR: o-Ethyl o-pentyl dithiodicarbonate (CAS 6803-17-4) is a chemical compound with molecular formula C9H16O3S2 and molecular weight 236.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl pentoxycarbothioylsulfanylformate
Also Known As: o-ethyl o-pentyl dithiodicarbonate, ethyl pentoxycarbothioylsulfanylformate
| Molecular Formula | C9H16O3S2 |
|---|---|
| Molecular Weight | 236.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 92.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 236.0541 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 6803-17-4 |
|---|---|
| SMILES | CCCCCOC(=S)SC(=O)OCC |
| InChIKey | BVTBSBLWSFUBGL-UHFFFAOYSA-N |
Product Overview
o-Ethyl o-pentyl dithiodicarbonate (CAS 6803-17-4), with molecular formula C9H16O3S2 and molecular weight 236.05 g/mol. IUPAC: ethyl pentoxycarbothioylsulfanylformate.
Chemical Property Profile of o-Ethyl o-pentyl dithiodicarbonate
Property Insights of o-Ethyl o-pentyl dithiodicarbonate
The XLogP value of 4.0 indicates that o-Ethyl o-pentyl dithiodicarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for o-Ethyl o-pentyl dithiodicarbonate. Following Lipinski's Rule of Five, o-Ethyl o-pentyl dithiodicarbonate has 0 hydrogen bond donor(s) and 5 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 o-Ethyl o-pentyl dithiodicarbonate?
The CAS number of o-Ethyl o-pentyl dithiodicarbonate is 6803-17-4.
What is the molecular formula of o-Ethyl o-pentyl dithiodicarbonate?
The molecular formula of o-Ethyl o-pentyl dithiodicarbonate is C9H16O3S2.
What is the molecular weight of o-Ethyl o-pentyl dithiodicarbonate?
The molecular weight of o-Ethyl o-pentyl dithiodicarbonate is 236.05 g/mol.
Where can I buy o-Ethyl o-pentyl dithiodicarbonate?
You can request a quote for o-Ethyl o-pentyl dithiodicarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Ethyl o-pentyl dithiodicarbonate?
Yes, KEHONG BIO provides custom synthesis services for o-Ethyl o-pentyl dithiodicarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.