O,S-Diethyl thiocarbonate
TL;DR: O,S-Diethyl thiocarbonate (CAS 3554-12-9) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl ethylsulfanylformate
Also Known As: o,s-diethyl thiocarbonate, Thioethyl compound, ethyl ethylsulfanylformate, ethoxy(ethylsulfanyl)methanone, Carbonothioic acid, O,S-diethyl ester
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 3554-12-9 |
|---|---|
| SMILES | CCOC(=O)SCC |
| InChIKey | HXNHJWLEAMYJJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,S-Diethyl thiocarbonate (CAS 3554-12-9), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: ethyl ethylsulfanylformate.
Chemical Property Profile of O,S-Diethyl thiocarbonate
Property Insights of O,S-Diethyl thiocarbonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,S-Diethyl thiocarbonate. With a topological polar surface area (TPSA) of 51.6 Ų, O,S-Diethyl thiocarbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,S-Diethyl thiocarbonate 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 O,S-Diethyl thiocarbonate?
The CAS number of O,S-Diethyl thiocarbonate is 3554-12-9.
What is the molecular formula of O,S-Diethyl thiocarbonate?
The molecular formula of O,S-Diethyl thiocarbonate is C5H10O2S.
What is the molecular weight of O,S-Diethyl thiocarbonate?
The molecular weight of O,S-Diethyl thiocarbonate is 134.04 g/mol.
Where can I buy O,S-Diethyl thiocarbonate?
You can request a quote for O,S-Diethyl thiocarbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,S-Diethyl thiocarbonate?
Yes, KEHONG BIO provides custom synthesis services for O,S-Diethyl thiocarbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.