Propylxanthogenate
TL;DR: Propylxanthogenate (CAS 6253-38-9) is a chemical compound with molecular formula C4H8OS2 and molecular weight 136.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propoxymethanedithioic acid
Also Known As: Propylxanthogenate, propylxanthic acid, Propyl xanthate, propyl xanthic acid, propoxymethanedithioic acid
| Molecular Formula | C4H8OS2 |
|---|---|
| Molecular Weight | 136.00 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 42.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 136.00166 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 6253-38-9 |
|---|---|
| SMILES | CCCOC(=S)S |
| InChIKey | SSFPHCKFUBEAKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propylxanthogenate (CAS 6253-38-9), with molecular formula C4H8OS2 and molecular weight 136.00 g/mol. IUPAC: propoxymethanedithioic acid.
Chemical Property Profile of Propylxanthogenate
Property Insights of Propylxanthogenate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propylxanthogenate. With a topological polar surface area (TPSA) of 42.3 Ų, Propylxanthogenate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propylxanthogenate 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 Propylxanthogenate?
The CAS number of Propylxanthogenate is 6253-38-9.
What is the molecular formula of Propylxanthogenate?
The molecular formula of Propylxanthogenate is C4H8OS2.
What is the molecular weight of Propylxanthogenate?
The molecular weight of Propylxanthogenate is 136.00 g/mol.
Where can I buy Propylxanthogenate?
You can request a quote for Propylxanthogenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylxanthogenate?
Yes, KEHONG BIO provides custom synthesis services for Propylxanthogenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.