S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate
TL;DR: S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate (CAS 88237-86-9) is a chemical compound with molecular formula C11H16NO4PS2 and molecular weight 321.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(ethylsulfanyl)phosphoryl-(2-nitrophenyl)methanol
Also Known As: bis(ethylsulfanyl)phosphoryl-(2-nitrophenyl)methanol, S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate, S,S-diethyl [hydroxy(2-nitrophenyl)methyl]phosphonodithioate
| Molecular Formula | C11H16NO4PS2 |
|---|---|
| Molecular Weight | 321.03 g/mol |
| LogP | 4.285 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.02585 |
| Heavy Atoms | 19 |
| Complexity | 487.33847 |
Chemical Identifiers
| CAS Number | 88237-86-9 |
|---|---|
| SMILES | CCSP(=O)(C(C1=CC=CC=C1[N+](=O)[O-])O)SCC |
Product Overview
S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate (CAS 88237-86-9), with molecular formula C11H16NO4PS2 and molecular weight 321.03 g/mol. IUPAC: bis(ethylsulfanyl)phosphoryl-(2-nitrophenyl)methanol.
Chemical Property Profile of S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate
Property Insights of S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate
The XLogP value of 4.285 indicates that S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate. Following Lipinski's Rule of Five, S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate has 1 hydrogen bond donor(s) and 6 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-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate?
The CAS number of S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate is 88237-86-9.
What is the molecular formula of S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate?
The molecular formula of S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate is C11H16NO4PS2.
What is the molecular weight of S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate?
The molecular weight of S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate is 321.03 g/mol.
Where can I buy S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate?
You can request a quote for S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate?
Yes, KEHONG BIO provides custom synthesis services for S,S-diethyl (hydroxy(2-nitrophenyl)methyl)phosphonodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.