Phosphorothioic acid, O,O-dimethyl S-pentyl ester
TL;DR: Phosphorothioic acid, O,O-dimethyl S-pentyl ester (CAS 79985-89-0) is a chemical compound with molecular formula C7H17O3PS and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-pentan-2-yloxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Dimethyl S-pentyl phosphorothioate, Phosphorothioic acid, O,O-dimethyl S-pentyl ester, dimethoxy-pentan-2-yloxy-sulfanylidene-, O,O-Dimethyl O-(pentan-2-yl) phosphorothioate, O,O-DIMETHYL O-PENTAN-2-YL PHOSPHOROTHIOATE
| Molecular Formula | C7H17O3PS |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 2.7089 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.0636 |
| Heavy Atoms | 12 |
| Complexity | 154.73048 |
Chemical Identifiers
| CAS Number | 79985-89-0 |
|---|---|
| SMILES | CCCC(C)OP(=S)(OC)OC |
Product Overview
Phosphorothioic acid, O,O-dimethyl S-pentyl ester (CAS 79985-89-0), with molecular formula C7H17O3PS and molecular weight 212.06 g/mol. IUPAC: dimethoxy-pentan-2-yloxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, O,O-dimethyl S-pentyl ester
Property Insights of Phosphorothioic acid, O,O-dimethyl S-pentyl ester
The XLogP value of 2.7089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, O,O-dimethyl S-pentyl ester. With a topological polar surface area (TPSA) of 27.69 Ų, Phosphorothioic acid, O,O-dimethyl S-pentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, O,O-dimethyl S-pentyl 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-pentyl ester?
The CAS number of Phosphorothioic acid, O,O-dimethyl S-pentyl ester is 79985-89-0.
What is the molecular formula of Phosphorothioic acid, O,O-dimethyl S-pentyl ester?
The molecular formula of Phosphorothioic acid, O,O-dimethyl S-pentyl ester is C7H17O3PS.
What is the molecular weight of Phosphorothioic acid, O,O-dimethyl S-pentyl ester?
The molecular weight of Phosphorothioic acid, O,O-dimethyl S-pentyl ester is 212.06 g/mol.
Where can I buy Phosphorothioic acid, O,O-dimethyl S-pentyl ester?
You can request a quote for Phosphorothioic acid, O,O-dimethyl S-pentyl 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-pentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O,O-dimethyl S-pentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.