Phosphorothioic acid, O,O-dimethyl S-isopropyl ester
TL;DR: Phosphorothioic acid, O,O-dimethyl S-isopropyl ester (CAS 79985-91-4) is a chemical compound with molecular formula C5H13O3PS and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dimethoxyphosphorylsulfanylpropane
Also Known As: O,O-Dimethyl S-isopropyl phosphorothioate, 2-dimethoxyphosphorylsulfanylpropane, Phosphorothioic acid, O,O-dimethyl S-isopropyl ester, 4-01-00-01504 (Beilstein Handbook Reference), dimethyl (propan-2-ylsulfanyl)phosphonate
| Molecular Formula | C5H13O3PS |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.0323 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 79985-91-4 |
|---|---|
| SMILES | CC(C)SP(=O)(OC)OC |
| InChIKey | APNRBRNCRUKWCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O,O-dimethyl S-isopropyl ester (CAS 79985-91-4), with molecular formula C5H13O3PS and molecular weight 184.03 g/mol. IUPAC: 2-dimethoxyphosphorylsulfanylpropane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl S-isopropyl ester
Property Insights of Phosphorothioic acid, O,O-dimethyl S-isopropyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl S-isopropyl ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O,O-dimethyl S-isopropyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl S-isopropyl ester has 0 hydrogen bond donor(s) and 4 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 Phosphorothioic acid, O,O-dimethyl S-isopropyl ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl S-isopropyl ester is 79985-91-4.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl S-isopropyl ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl S-isopropyl ester is C5H13O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl S-isopropyl ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl S-isopropyl ester is 184.03 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl S-isopropyl ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl S-isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O,O-dimethyl S-isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl S-isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.