S,S,S-Tris(4-methylphenyl) phosphorotrithioate
TL;DR: S,S,S-Tris(4-methylphenyl) phosphorotrithioate (CAS 13799-87-6) 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.
1-bis[(4-methylphenyl)sulfanyl]phosphorylsulfanyl-4-methylbenzene
Also Known As: S,S,S-Tris-p-tolyl-trithiophosphat, S,S,S-Tris(4-methylphenyl) phosphorotrithioate, 1-bis[(4-methylphenyl)sulfanyl]phosphorylsulfanyl-4-methylbenzene, 1-bis[(4-methylphenyl)sulfanyl]phosphorylsulfanyl-4-methylbe
| Molecular Formula | C21H21OPS3 |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 93.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.04922 |
| Heavy Atoms | 26 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 13799-87-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SP(=O)(SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C |
| InChIKey | NDPQZKBUZSDPNN-UHFFFAOYSA-N |
Product Overview
S,S,S-Tris(4-methylphenyl) phosphorotrithioate (CAS 13799-87-6), with molecular formula C21H21OPS3 and molecular weight 416.05 g/mol. IUPAC: 1-bis[(4-methylphenyl)sulfanyl]phosphorylsulfanyl-4-methylbenzene.
Chemical Property Profile of S,S,S-Tris(4-methylphenyl) phosphorotrithioate
Property Insights of S,S,S-Tris(4-methylphenyl) phosphorotrithioate
The XLogP value of 6.5 indicates that S,S,S-Tris(4-methylphenyl) phosphorotrithioate 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 S,S,S-Tris(4-methylphenyl) phosphorotrithioate. Following Lipinski's Rule of Five, S,S,S-Tris(4-methylphenyl) phosphorotrithioate 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 S,S,S-Tris(4-methylphenyl) phosphorotrithioate?
The CAS number of S,S,S-Tris(4-methylphenyl) phosphorotrithioate is 13799-87-6.
What is the molecular formula of S,S,S-Tris(4-methylphenyl) phosphorotrithioate?
The molecular formula of S,S,S-Tris(4-methylphenyl) phosphorotrithioate is C21H21OPS3.
What is the molecular weight of S,S,S-Tris(4-methylphenyl) phosphorotrithioate?
The molecular weight of S,S,S-Tris(4-methylphenyl) phosphorotrithioate is 416.05 g/mol.
Where can I buy S,S,S-Tris(4-methylphenyl) phosphorotrithioate?
You can request a quote for S,S,S-Tris(4-methylphenyl) phosphorotrithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S,S,S-Tris(4-methylphenyl) phosphorotrithioate?
Yes, KEHONG BIO provides custom synthesis services for S,S,S-Tris(4-methylphenyl) phosphorotrithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.