Phosphorothioic acid, S-butyl O,O-diethyl ester
TL;DR: Phosphorothioic acid, S-butyl O,O-diethyl ester (CAS 64615-74-3) 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.
butan-2-yloxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-Diethyl S-butyl phosphorothioate, o-butan-2-yl o,o-diethyl phosphorothioate, butan-2-yloxy-diethoxy-sulfanylidene-, Phosphorothioic acid, S-butyl O,O-diethyl ester, O-(Butan-2-yl) O,O-diethyl phosphorothioate
| Molecular Formula | C8H19O3PS |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.07925 |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 64615-74-3 |
|---|---|
| SMILES | CCC(C)OP(=S)(OCC)OCC |
| InChIKey | RHUCJHBHZBJZEB-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-butyl O,O-diethyl ester (CAS 64615-74-3), with molecular formula C8H19O3PS and molecular weight 226.08 g/mol. IUPAC: butan-2-yloxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphorothioic acid, S-butyl O,O-diethyl ester
Property Insights of Phosphorothioic acid, S-butyl O,O-diethyl ester
The XLogP value of 3.3 indicates that Phosphorothioic acid, S-butyl O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Phosphorothioic acid, S-butyl O,O-diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphorothioic acid, S-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-butyl O,O-diethyl ester?
The CAS number of Phosphorothioic acid, S-butyl O,O-diethyl ester is 64615-74-3.
What is the molecular formula of Phosphorothioic acid, S-butyl O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, S-butyl O,O-diethyl ester is C8H19O3PS.
What is the molecular weight of Phosphorothioic acid, S-butyl O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, S-butyl O,O-diethyl ester is 226.08 g/mol.
Where can I buy Phosphorothioic acid, S-butyl O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, S-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-butyl O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-butyl O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.