O-Butyl S-methyl benzylphosphonodithioate
TL;DR: O-Butyl S-methyl benzylphosphonodithioate (CAS 64729-45-9) is a chemical compound with molecular formula C12H19OPS2 and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-butoxy-methylsulfanyl-sulfanylidene-λ5-phosphane
Also Known As: Acaricide 228F, o-butyl s-methyl benzylphosphonodithioate, O-Butyl-S-methyl-benzyldithiophosphonat, benzyl-butoxy-methylsulfanyl-sulfanylidene-, Phosphonodithioic acid, (phenylmethyl)-, O-butyl S-methyl ester
| Molecular Formula | C12H19OPS2 |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 66.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.0615 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 64729-45-9 |
|---|---|
| SMILES | CCCCOP(=S)(CC1=CC=CC=C1)SC |
| InChIKey | JWFKVDYRJIOCFA-UHFFFAOYSA-N |
Product Overview
O-Butyl S-methyl benzylphosphonodithioate (CAS 64729-45-9), with molecular formula C12H19OPS2 and molecular weight 274.06 g/mol. IUPAC: benzyl-butoxy-methylsulfanyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Butyl S-methyl benzylphosphonodithioate
Property Insights of O-Butyl S-methyl benzylphosphonodithioate
The XLogP value of 4.3 indicates that O-Butyl S-methyl benzylphosphonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Butyl S-methyl benzylphosphonodithioate. Following Lipinski's Rule of Five, O-Butyl S-methyl benzylphosphonodithioate 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 O-Butyl S-methyl benzylphosphonodithioate?
The CAS number of O-Butyl S-methyl benzylphosphonodithioate is 64729-45-9.
What is the molecular formula of O-Butyl S-methyl benzylphosphonodithioate?
The molecular formula of O-Butyl S-methyl benzylphosphonodithioate is C12H19OPS2.
What is the molecular weight of O-Butyl S-methyl benzylphosphonodithioate?
The molecular weight of O-Butyl S-methyl benzylphosphonodithioate is 274.06 g/mol.
Where can I buy O-Butyl S-methyl benzylphosphonodithioate?
You can request a quote for O-Butyl S-methyl benzylphosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Butyl S-methyl benzylphosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for O-Butyl S-methyl benzylphosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.