Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester
TL;DR: Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester (CAS 23820-18-0) is a chemical compound with molecular formula C13H21OPS3 and molecular weight 320.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[bis(ethylsulfanyl)phosphoryl-ethylsulfanylmethyl]benzene
Also Known As: [bis(ethylsulfanyl)phosphoryl-ethylsulfanyl-methyl]benzene|[bis(ethylsulfanyl)phosphoryl-ethylsulfanylmethyl]benzene|Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester|S,S-Diethyl [(ethylsulfanyl)(phenyl)methyl]phosphonodithioate
| Molecular Formula | C13H21OPS3 |
|---|---|
| Molecular Weight | 320.05 g/mol |
| LogP | 6.1376 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.04922 |
| Heavy Atoms | 18 |
| Complexity | 373.08255 |
Chemical Identifiers
| CAS Number | 23820-18-0 |
|---|---|
| SMILES | CCSC(C1=CC=CC=C1)P(=O)(SCC)SCC |
Product Overview
Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester (CAS 23820-18-0), with molecular formula C13H21OPS3 and molecular weight 320.05 g/mol. IUPAC: [bis(ethylsulfanyl)phosphoryl-ethylsulfanylmethyl]benzene.
Chemical Property Profile of Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester
Property Insights of Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester
The XLogP value of 6.1376 indicates that Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester?
The CAS number of Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester is 23820-18-0.
What is the molecular formula of Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester?
The molecular formula of Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester is C13H21OPS3.
What is the molecular weight of Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester?
The molecular weight of Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester is 320.05 g/mol.
Where can I buy Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester?
You can request a quote for Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonodithioic acid, [(ethylthio)phenylmethyl]-, S,S-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.