6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine
TL;DR: 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine (CAS 18895-89-1) is a chemical compound with molecular formula C11H20ClN3O4P2S4 and molecular weight 482.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-6-diethoxyphosphinothioylsulfanyl-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: J1.567.291I, 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine, S,S'-(6-CHLORO-S-TRIAZINE-2,4-DIYL) O,O,O',O'-T*, S,S'-(6-chloro-1,3,5-triazine-2,4-diyl) O,O,O',O'-tetraethyl bis(phosphorodithioate), (4-chloro-6-diethoxyphosphinothioylsulfanyl-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-
| Molecular Formula | C11H20ClN3O4P2S4 |
|---|---|
| Molecular Weight | 482.95 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 482.95004 |
| Heavy Atoms | 25 |
| Complexity | 436.0 |
Chemical Identifiers
| CAS Number | 18895-89-1 |
|---|---|
| SMILES | CCOP(=S)(OCC)SC1=NC(=NC(=N1)Cl)SP(=S)(OCC)OCC |
| InChIKey | QDNDVZLJLWGSMP-UHFFFAOYSA-N |
Product Overview
6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine (CAS 18895-89-1), with molecular formula C11H20ClN3O4P2S4 and molecular weight 482.95 g/mol. IUPAC: (4-chloro-6-diethoxyphosphinothioylsulfanyl-1,3,5-triazin-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine
Property Insights of 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine
The XLogP value of 5.6 indicates that 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 190.0 Ų indicates high polarity, suggesting 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine?
The CAS number of 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine is 18895-89-1.
What is the molecular formula of 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine?
The molecular formula of 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine is C11H20ClN3O4P2S4.
What is the molecular weight of 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine?
The molecular weight of 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine is 482.95 g/mol.
Where can I buy 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine?
You can request a quote for 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2,4-bis(diethoxythioxophosphoranylthio)-1,3,5-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.