Tri-O-butyl phosphorothioate
TL;DR: Tri-O-butyl phosphorothioate (CAS 78-47-7) is a chemical compound with molecular formula C12H27O3PS and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tributoxy(sulfanylidene)-λ5-phosphane
Also Known As: Tributylthiophosphate, O,O,O-Tributyl phosphorothioate, Tributyl thiophosphate, Tributylphosphorothionate, Tri-n-butyl phosphorothioate
| Molecular Formula | C12H27O3PS |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 282.14185 |
| Heavy Atoms | 17 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 78-47-7 |
|---|---|
| SMILES | CCCCOP(=S)(OCCCC)OCCCC |
| InChIKey | PPEZWDDRWXDXOQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tri-O-butyl phosphorothioate (CAS 78-47-7), with molecular formula C12H27O3PS and molecular weight 282.14 g/mol. IUPAC: tributoxy(sulfanylidene)-λ5-phosphane.
Chemical Property Profile of Tri-O-butyl phosphorothioate
Property Insights of Tri-O-butyl phosphorothioate
The XLogP value of 5.0 indicates that Tri-O-butyl phosphorothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Tri-O-butyl phosphorothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tri-O-butyl phosphorothioate 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 Tri-O-butyl phosphorothioate?
The CAS number of Tri-O-butyl phosphorothioate is 78-47-7.
What is the molecular formula of Tri-O-butyl phosphorothioate?
The molecular formula of Tri-O-butyl phosphorothioate is C12H27O3PS.
What is the molecular weight of Tri-O-butyl phosphorothioate?
The molecular weight of Tri-O-butyl phosphorothioate is 282.14 g/mol.
Where can I buy Tri-O-butyl phosphorothioate?
You can request a quote for Tri-O-butyl phosphorothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-O-butyl phosphorothioate?
Yes, KEHONG BIO provides custom synthesis services for Tri-O-butyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.