O,O,O-Tris(4-nitrophenyl) thiophosphate
TL;DR: O,O,O-Tris(4-nitrophenyl) thiophosphate (CAS 64131-85-7) is a chemical compound with molecular formula C18H12N3O9PS and molecular weight 477.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: O,O,O-Tris(4-nitrophenyl) thiophosphate, NIOSH/TG4112500, Tri-p-nitrophenyl thiophosphate, tris(4-nitrophenyl)thiophosphate, o,o,o-tris(4-nitrophenyl) phosphorothioate
| Molecular Formula | C18H12N3O9PS |
|---|---|
| Molecular Weight | 477.00 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 477.00317 |
| Heavy Atoms | 32 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 64131-85-7 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OP(=S)(OC2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | DMRUHNJUTAJPSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O,O,O-Tris(4-nitrophenyl) thiophosphate (CAS 64131-85-7), with molecular formula C18H12N3O9PS and molecular weight 477.00 g/mol. IUPAC: tris(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O,O-Tris(4-nitrophenyl) thiophosphate
Property Insights of O,O,O-Tris(4-nitrophenyl) thiophosphate
The XLogP value of 6.2 indicates that O,O,O-Tris(4-nitrophenyl) thiophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting O,O,O-Tris(4-nitrophenyl) thiophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O,O,O-Tris(4-nitrophenyl) thiophosphate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O,O,O-Tris(4-nitrophenyl) thiophosphate?
The CAS number of O,O,O-Tris(4-nitrophenyl) thiophosphate is 64131-85-7.
What is the molecular formula of O,O,O-Tris(4-nitrophenyl) thiophosphate?
The molecular formula of O,O,O-Tris(4-nitrophenyl) thiophosphate is C18H12N3O9PS.
What is the molecular weight of O,O,O-Tris(4-nitrophenyl) thiophosphate?
The molecular weight of O,O,O-Tris(4-nitrophenyl) thiophosphate is 477.00 g/mol.
Where can I buy O,O,O-Tris(4-nitrophenyl) thiophosphate?
You can request a quote for O,O,O-Tris(4-nitrophenyl) thiophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O,O-Tris(4-nitrophenyl) thiophosphate?
Yes, KEHONG BIO provides custom synthesis services for O,O,O-Tris(4-nitrophenyl) thiophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.