Ethyl xanthate
TL;DR: Ethyl xanthate (CAS 151-01-9) is a chemical compound with molecular formula C3H6OS2 and molecular weight 121.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxymethanedithioic acid
Also Known As: Ethyl xanthate, ETHYLXANTHATE, Xanthate, Ethyl xanthogenate, Ethylxanthic acid
| Molecular Formula | C3H6OS2 |
|---|---|
| Molecular Weight | 121.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.98601 |
| Heavy Atoms | 6 |
| Complexity | 52.0 |
| Melting Point | FREEZING POINT -53 °C |
| Solubility | SLIGHTLY SOL IN WATER |
Chemical Identifiers
| CAS Number | 151-01-9 |
|---|---|
| SMILES | CCOC(=S)S |
| InChIKey | ZOOODBUHSVUZEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl xanthate (CAS 151-01-9), with molecular formula C3H6OS2 and molecular weight 121.99 g/mol. IUPAC: ethoxymethanedithioic acid.
Chemical Property Profile of Ethyl xanthate
Property Insights of Ethyl xanthate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl xanthate. With a topological polar surface area (TPSA) of 42.3 Ų, Ethyl xanthate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl xanthate has 1 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 Ethyl xanthate?
The CAS number of Ethyl xanthate is 151-01-9.
What is the molecular formula of Ethyl xanthate?
The molecular formula of Ethyl xanthate is C3H6OS2.
What is the molecular weight of Ethyl xanthate?
The molecular weight of Ethyl xanthate is 121.99 g/mol.
Where can I buy Ethyl xanthate?
You can request a quote for Ethyl xanthate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl xanthate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl xanthate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.