Phosphorotrithioic acid, S,S,S-tribenzyl ester
TL;DR: Phosphorotrithioic acid, S,S,S-tribenzyl ester (CAS 14974-76-6) is a chemical compound with molecular formula C21H21OPS3 and molecular weight 416.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(benzylsulfanyl)phosphorylsulfanylmethylbenzene
Also Known As: S,S,S-Tribenzyl phosphorotrithioate, Phosphorotrithioic acid, S,S,S-tribenzyl ester, Bis(benzylsulfanyl)phosphorylsulfanylmethylbenzene, Phosphorotrithioicacid, S,S,S-tris(phenylmethyl) ester
| Molecular Formula | C21H21OPS3 |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 416.04922 |
| Heavy Atoms | 26 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 14974-76-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSP(=O)(SCC2=CC=CC=C2)SCC3=CC=CC=C3 |
| InChIKey | SHGMHCSBWKCSCZ-UHFFFAOYSA-N |
Product Overview
Phosphorotrithioic acid, S,S,S-tribenzyl ester (CAS 14974-76-6), with molecular formula C21H21OPS3 and molecular weight 416.05 g/mol. IUPAC: bis(benzylsulfanyl)phosphorylsulfanylmethylbenzene.
Chemical Property Profile of Phosphorotrithioic acid, S,S,S-tribenzyl ester
Property Insights of Phosphorotrithioic acid, S,S,S-tribenzyl ester
The XLogP value of 5.2 indicates that Phosphorotrithioic acid, S,S,S-tribenzyl ester 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 Phosphorotrithioic acid, S,S,S-tribenzyl ester. Following Lipinski's Rule of Five, Phosphorotrithioic acid, S,S,S-tribenzyl 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 Phosphorotrithioic acid, S,S,S-tribenzyl ester?
The CAS number of Phosphorotrithioic acid, S,S,S-tribenzyl ester is 14974-76-6.
What is the molecular formula of Phosphorotrithioic acid, S,S,S-tribenzyl ester?
The molecular formula of Phosphorotrithioic acid, S,S,S-tribenzyl ester is C21H21OPS3.
What is the molecular weight of Phosphorotrithioic acid, S,S,S-tribenzyl ester?
The molecular weight of Phosphorotrithioic acid, S,S,S-tribenzyl ester is 416.05 g/mol.
Where can I buy Phosphorotrithioic acid, S,S,S-tribenzyl ester?
You can request a quote for Phosphorotrithioic acid, S,S,S-tribenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorotrithioic acid, S,S,S-tribenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorotrithioic acid, S,S,S-tribenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.