Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester
TL;DR: Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester (CAS 79985-92-5) is a chemical compound with molecular formula C6H15O3PS and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dimethoxyphosphorylsulfanyl-2-methylpropane
Also Known As: O,O-Dimethyl S-tert-butyl phosphorothioate, Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester, dimethyl (tert-butylsulfanyl)phosphonate, S-tert-Butyl O,O-dimethyl phosphorothioate, 2-dimethoxyphosphorylsulfanyl-2-methylpropane
| Molecular Formula | C6H15O3PS |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 2.919 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04796 |
| Heavy Atoms | 11 |
| Complexity | 155.70056 |
Chemical Identifiers
| CAS Number | 79985-92-5 |
|---|---|
| SMILES | CC(C)(C)SP(=O)(OC)OC |
Product Overview
Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester (CAS 79985-92-5), with molecular formula C6H15O3PS and molecular weight 198.05 g/mol. IUPAC: 2-dimethoxyphosphorylsulfanyl-2-methylpropane.
Chemical Property Profile of Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester
Property Insights of Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester
The XLogP value of 2.919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, S-tert-butyl O,O-dimethyl 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-dimethyl ester?
The CAS number of Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester is 79985-92-5.
What is the molecular formula of Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester is C6H15O3PS.
What is the molecular weight of Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester is 198.05 g/mol.
Where can I buy Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, S-tert-butyl O,O-dimethyl 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-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-tert-butyl O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.