S,S-dibutyl phenylphosphonodithioate
TL;DR: S,S-dibutyl phenylphosphonodithioate (CAS 2797-64-0) is a chemical compound with molecular formula C14H23OPS2 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(butylsulfanyl)phosphorylbenzene
Also Known As: bis(butylsulfanyl)phosphorylbenzene, S,S-dibutyl phenylphosphonodithioate
| Molecular Formula | C14H23OPS2 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 302.0928 |
| Heavy Atoms | 18 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 2797-64-0 |
|---|---|
| SMILES | CCCCSP(=O)(C1=CC=CC=C1)SCCCC |
| InChIKey | UXZULISUPNIZBJ-UHFFFAOYSA-N |
Product Overview
S,S-dibutyl phenylphosphonodithioate (CAS 2797-64-0), with molecular formula C14H23OPS2 and molecular weight 302.09 g/mol. IUPAC: bis(butylsulfanyl)phosphorylbenzene.
Chemical Property Profile of S,S-dibutyl phenylphosphonodithioate
Property Insights of S,S-dibutyl phenylphosphonodithioate
The XLogP value of 4.3 indicates that S,S-dibutyl phenylphosphonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S,S-dibutyl phenylphosphonodithioate. Following Lipinski's Rule of Five, S,S-dibutyl phenylphosphonodithioate has 0 hydrogen bond donor(s) and 3 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 S,S-dibutyl phenylphosphonodithioate?
The CAS number of S,S-dibutyl phenylphosphonodithioate is 2797-64-0.
What is the molecular formula of S,S-dibutyl phenylphosphonodithioate?
The molecular formula of S,S-dibutyl phenylphosphonodithioate is C14H23OPS2.
What is the molecular weight of S,S-dibutyl phenylphosphonodithioate?
The molecular weight of S,S-dibutyl phenylphosphonodithioate is 302.09 g/mol.
Where can I buy S,S-dibutyl phenylphosphonodithioate?
You can request a quote for S,S-dibutyl phenylphosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S-dibutyl phenylphosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for S,S-dibutyl phenylphosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.