N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium
TL;DR: N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium (CAS 111854-42-3) is a chemical compound with molecular formula C16H32N4O6S4 and molecular weight 504.12048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,12-bis(2-sulfonatosulfanylethyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecane
Also Known As: N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium, 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(2-(sulfothio)ethyl)-, dihydroxide, bis(inner salt), 3,12-bis(2-sulfonatosulfanylethyl)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecane, S,S'-[3,6,9,12-Tetraazadispiro[5.2.5~9~.2~6~]hexadecane-6,9-diium-3,12-diyldi(ethane-2,1-diyl)] disulfurothioate, BRN 5679168
Technical Specifications
| Molecular Formula | C16H32N4O6S4 |
| Molecular Weight | 504.12048 g/mol |
| XLogP | -6.3 |
| Topological Polar Surface Area (TPSA) | 188.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.12048 Da |
| Heavy Atoms | 30 |
| Complexity | 662.0 |
| SMILES | C1C[N+]2(CCN1CCSS(=O)(=O)[O-])CC[N+]3(CCN(CC3)CCSS(=O)(=O)[O-])CC2 |
| InChIKey | OMASQOFREJDMSA-UHFFFAOYSA-N |
Chemical Property Profile of N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium
Property Insights of N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium
The XLogP value of -6.3 indicates that N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium 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-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium?
The CAS number of N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium is 111854-42-3.
What is the molecular formula of N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium?
The molecular formula of N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium is C16H32N4O6S4.
What is the molecular weight of N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium?
The molecular weight of N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium is 504.12048 g/mol.
Where can I buy N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium?
You can request a quote for N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium?
Yes, CoreyChem provides custom synthesis services for N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.