Phosphorothioic acid, S-tert-butyl O,O-diethyl ester
TL;DR: Phosphorothioic acid, S-tert-butyl O,O-diethyl ester (CAS 7795-74-6) is a chemical compound with molecular formula C8H19O3PS and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylsulfanyl-2-methylpropane
Also Known As: O,O-Diethyl S-(tert-butyl)phosphorothioate, Phosphorothioic acid, S-tert-butyl O,O-diethyl ester, diethyl (tert-butylsulfanyl)phosphonate, S-tert-butyl O,O-diethyl phosphorothioate, 2-diethoxyphosphorylsulfanyl-2-methylpropane
| Molecular Formula | C8H19O3PS |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.07925 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 7795-74-6 |
|---|---|
| SMILES | CCOP(=O)(OCC)SC(C)(C)C |
| InChIKey | FSKOAWGTGPPJCS-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-tert-butyl O,O-diethyl ester (CAS 7795-74-6), with molecular formula C8H19O3PS and molecular weight 226.08 g/mol. IUPAC: 2-diethoxyphosphorylsulfanyl-2-methylpropane.
Chemical Property Profile of Phosphorothioic acid, S-tert-butyl O,O-diethyl ester
Property Insights of Phosphorothioic acid, S-tert-butyl O,O-diethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-tert-butyl O,O-diethyl ester. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-tert-butyl O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-tert-butyl O,O-diethyl 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, S-tert-butyl O,O-diethyl ester?
The CAS number of Phosphorothioic acid, S-tert-butyl O,O-diethyl ester is 7795-74-6.
What is the molecular formula of Phosphorothioic acid, S-tert-butyl O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, S-tert-butyl O,O-diethyl ester is C8H19O3PS.
What is the molecular weight of Phosphorothioic acid, S-tert-butyl O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, S-tert-butyl O,O-diethyl ester is 226.08 g/mol.
Where can I buy Phosphorothioic acid, S-tert-butyl O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, S-tert-butyl O,O-diethyl 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, S-tert-butyl O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-tert-butyl O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.