Dithiobischoline
TL;DR: Dithiobischoline (CAS 4468-11-5) is a chemical compound with molecular formula C10H26N2S2+2 and molecular weight 238.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[2-(trimethylazaniumyl)ethyldisulfanyl]ethyl]azanium
Also Known As: Dithiobischoline, Ethanaminium, 2,2'-dithiobis(N,N,N-trimethyl-, Bis[2-(trimethylaminio)ethyl] persulfide, BAS 00170752, ethanaminium, 2,2'-dithiobis[n,n,n-trimethyl-
| Molecular Formula | C10H26N2S2+2 |
|---|---|
| Molecular Weight | 238.15 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 50.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.15375 |
| Heavy Atoms | 14 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 4468-11-5 |
|---|---|
| SMILES | C[N+](C)(C)CCSSCC[N+](C)(C)C |
| InChIKey | ZZEBJTBRKQKJBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dithiobischoline (CAS 4468-11-5), with molecular formula C10H26N2S2+2 and molecular weight 238.15 g/mol. IUPAC: trimethyl-[2-[2-(trimethylazaniumyl)ethyldisulfanyl]ethyl]azanium.
Chemical Property Profile of Dithiobischoline
Property Insights of Dithiobischoline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dithiobischoline. With a topological polar surface area (TPSA) of 50.6 Ų, Dithiobischoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithiobischoline has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dithiobischoline?
The CAS number of Dithiobischoline is 4468-11-5.
What is the molecular formula of Dithiobischoline?
The molecular formula of Dithiobischoline is C10H26N2S2+2.
What is the molecular weight of Dithiobischoline?
The molecular weight of Dithiobischoline is 238.15 g/mol.
Where can I buy Dithiobischoline?
You can request a quote for Dithiobischoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiobischoline?
Yes, KEHONG BIO provides custom synthesis services for Dithiobischoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.