Ethyl xanthogenic acid
TL;DR: Ethyl xanthogenic acid (CAS 105-47-5) is a chemical compound with molecular formula C5H10OS2 and molecular weight 150.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yloxymethanedithioic acid
Also Known As: ethyl xanthogenic acid, Potassium sec-butyl xanthate, butan-2-yloxymethanedithioic acid, methanedithioic acid, sec-butoxy-, o-butan-2-yl hydrogen carbonodithioate
| Molecular Formula | C5H10OS2 |
|---|---|
| Molecular Weight | 150.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 150.0173 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 105-47-5 |
|---|---|
| SMILES | CCC(C)OC(=S)S |
| InChIKey | WQIPONAWDJJUPQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl xanthogenic acid (CAS 105-47-5), with molecular formula C5H10OS2 and molecular weight 150.02 g/mol. IUPAC: butan-2-yloxymethanedithioic acid.
Chemical Property Profile of Ethyl xanthogenic acid
Property Insights of Ethyl xanthogenic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl xanthogenic acid. With a topological polar surface area (TPSA) of 42.3 Ų, Ethyl xanthogenic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl xanthogenic acid 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 xanthogenic acid?
The CAS number of Ethyl xanthogenic acid is 105-47-5.
What is the molecular formula of Ethyl xanthogenic acid?
The molecular formula of Ethyl xanthogenic acid is C5H10OS2.
What is the molecular weight of Ethyl xanthogenic acid?
The molecular weight of Ethyl xanthogenic acid is 150.02 g/mol.
Where can I buy Ethyl xanthogenic acid?
You can request a quote for Ethyl xanthogenic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl xanthogenic acid?
Yes, KEHONG BIO provides custom synthesis services for Ethyl xanthogenic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.