O,S-Dimethyl propylphosphonothioate
TL;DR: O,S-Dimethyl propylphosphonothioate (CAS 90220-19-2) is a chemical compound with molecular formula C5H13O2PS and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methoxy(methylsulfanyl)phosphoryl]propane
Also Known As: Propylphosphonothioic acid O,S-dimethyl ester, o,S-Dimethyl propylphosphonothioate, o,S-Dimethyl propylphosphonothioate #, Phosphonothioic acid, propyl-, O,S-dimethyl ester, methyl (methylsulfanyl)(propyl)phosphinate
| Molecular Formula | C5H13O2PS |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.03738 |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 90220-19-2 |
|---|---|
| SMILES | CCCP(=O)(OC)SC |
| InChIKey | KHDOCIXBNDMHPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,S-Dimethyl propylphosphonothioate (CAS 90220-19-2), with molecular formula C5H13O2PS and molecular weight 168.04 g/mol. IUPAC: 1-[methoxy(methylsulfanyl)phosphoryl]propane.
Chemical Property Profile of O,S-Dimethyl propylphosphonothioate
Property Insights of O,S-Dimethyl propylphosphonothioate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O,S-Dimethyl propylphosphonothioate. With a topological polar surface area (TPSA) of 51.6 Ų, O,S-Dimethyl propylphosphonothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O,S-Dimethyl propylphosphonothioate 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-Dimethyl propylphosphonothioate?
The CAS number of O,S-Dimethyl propylphosphonothioate is 90220-19-2.
What is the molecular formula of O,S-Dimethyl propylphosphonothioate?
The molecular formula of O,S-Dimethyl propylphosphonothioate is C5H13O2PS.
What is the molecular weight of O,S-Dimethyl propylphosphonothioate?
The molecular weight of O,S-Dimethyl propylphosphonothioate is 168.04 g/mol.
Where can I buy O,S-Dimethyl propylphosphonothioate?
You can request a quote for O,S-Dimethyl propylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,S-Dimethyl propylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O,S-Dimethyl propylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.