o,o-Diethyl pentathiotricarbonate
TL;DR: o,o-Diethyl pentathiotricarbonate (CAS 6325-46-8) is a chemical compound with molecular formula C7H10O2S5 and molecular weight 285.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-ethyl ethoxycarbothioylsulfanylcarbothioylsulfanylmethanethioate
Also Known As: o,o-diethyl pentathiotricarbonate, J3.152.898D, 3,9-dioxa-5,7-dithiaundecane-4,6,8-trithione, Bis(dithiocarbonic acid O-ethyl)thioxomethylene ester, O-ethyl ethoxycarbothioylsulfanylcarbothioylsulfanylmethanethioate
| Molecular Formula | C7H10O2S5 |
|---|---|
| Molecular Weight | 285.93 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 285.92844 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 6325-46-8 |
|---|---|
| SMILES | CCOC(=S)SC(=S)SC(=S)OCC |
| InChIKey | WGDCCQHKFSRJBO-UHFFFAOYSA-N |
Product Overview
o,o-Diethyl pentathiotricarbonate (CAS 6325-46-8), with molecular formula C7H10O2S5 and molecular weight 285.93 g/mol. IUPAC: O-ethyl ethoxycarbothioylsulfanylcarbothioylsulfanylmethanethioate.
Chemical Property Profile of o,o-Diethyl pentathiotricarbonate
Property Insights of o,o-Diethyl pentathiotricarbonate
The XLogP value of 4.5 indicates that o,o-Diethyl pentathiotricarbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.0 Ų indicates high polarity, suggesting o,o-Diethyl pentathiotricarbonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, o,o-Diethyl pentathiotricarbonate has 0 hydrogen bond donor(s) and 7 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,o-Diethyl pentathiotricarbonate?
The CAS number of o,o-Diethyl pentathiotricarbonate is 6325-46-8.
What is the molecular formula of o,o-Diethyl pentathiotricarbonate?
The molecular formula of o,o-Diethyl pentathiotricarbonate is C7H10O2S5.
What is the molecular weight of o,o-Diethyl pentathiotricarbonate?
The molecular weight of o,o-Diethyl pentathiotricarbonate is 285.93 g/mol.
Where can I buy o,o-Diethyl pentathiotricarbonate?
You can request a quote for o,o-Diethyl pentathiotricarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o,o-Diethyl pentathiotricarbonate?
Yes, KEHONG BIO provides custom synthesis services for o,o-Diethyl pentathiotricarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.