Tribufos
TL;DR: Tribufos (CAS 78-48-8) is a chemical compound with molecular formula C12H27OPS3 and molecular weight 314.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bis(butylsulfanyl)phosphorylsulfanylbutane
Also Known As: Tribufos, Butifos, Butiphos, DEF defoliant, Merphos oxide
| Molecular Formula | C12H27OPS3 |
|---|---|
| Molecular Weight | 314.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 314.09616 |
| Heavy Atoms | 17 |
| Complexity | 179.0 |
| Melting Point | Below -25 °C |
| Boiling Point | 210 °C at 750 mm Hg |
| Density | 1.057 at 20 °C |
| Solubility | Soluble in aliphatic, aromatic, and chlorinated hydrocarbons and alcohols. Completely miscible in dichloromethane, n-hexane, 2-propanol, and toluene. |
| Vapor Pressure | 0.0000053 [mmHg] |
| Refractive Index | 1.532 at 25 °C |
Chemical Identifiers
| CAS Number | 78-48-8 |
|---|---|
| SMILES | CCCCSP(=O)(SCCCC)SCCCC |
| InChIKey | ZOKXUAHZSKEQSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tribufos (CAS 78-48-8), with molecular formula C12H27OPS3 and molecular weight 314.10 g/mol. IUPAC: 1-bis(butylsulfanyl)phosphorylsulfanylbutane.
Chemical Property Profile of Tribufos
Property Insights of Tribufos
The XLogP value of 3.2 indicates that Tribufos is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tribufos. Following Lipinski's Rule of Five, Tribufos 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 Tribufos?
The CAS number of Tribufos is 78-48-8.
What is the molecular formula of Tribufos?
The molecular formula of Tribufos is C12H27OPS3.
What is the molecular weight of Tribufos?
The molecular weight of Tribufos is 314.10 g/mol.
Where can I buy Tribufos?
You can request a quote for Tribufos directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tribufos?
Yes, KEHONG BIO provides custom synthesis services for Tribufos and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.