N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride
TL;DR: N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride (CAS 111854-46-7) is a chemical compound with molecular formula C16H36Cl2N4O4P2S2 and molecular weight 544.103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(12-dimethoxyphosphinothioyl-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl)-dimethoxy-sulfanylidene-λ5-phosphane dichloride
Also Known As: N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride, 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(dimethoxyphosphinothioyl)-, dichloride, (12-dimethoxyphosphinothioyl-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl)-dimethoxy-sulfanylidene-, 3,12-Bis(dimethoxyphosphorothioyl)-3,6,9,12-tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium dichloride
Technical Specifications
| Molecular Formula | C16H36Cl2N4O4P2S2 |
| Molecular Weight | 544.103 g/mol |
| XLogP | -4.6926 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 544.103 Da |
| Heavy Atoms | 30 |
| Complexity | 558.0 |
| SMILES | COP(=S)(N1CC[N+]2(CC1)CC[N+]3(CCN(CC3)P(=S)(OC)OC)CC2)OC.[Cl-].[Cl-] |
| InChIKey | HVYFSXKPBIUMPA-UHFFFAOYSA-L |
Chemical Property Profile of N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride
Property Insights of N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride
The XLogP value of -4.6926 indicates that N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride. Following Lipinski's Rule of Five, N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride?
The CAS number of N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride is 111854-46-7.
What is the molecular formula of N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride?
The molecular formula of N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride is C16H36Cl2N4O4P2S2.
What is the molecular weight of N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride?
The molecular weight of N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride is 544.103 g/mol.
Where can I buy N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride?
You can request a quote for N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride?
Yes, CoreyChem provides custom synthesis services for N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.