1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-
TL;DR: 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- (CAS 59656-20-1) is a chemical compound with molecular formula C26H50N2S5 and molecular weight 550.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(2-methylundecan-2-yldisulfanyl)-1,3,4-thiadiazole
Also Known As: 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-, 2,5-Bis(tert-dodecyldithio)-1,3,4-thiadiazole, 2,5-bis -1,3,4-thiadiazole, 2,5-bis(2-methylundecan-2-yldisulfanyl)-1,3,4-thiadiazole, J2.085.180E
| Molecular Formula | C26H50N2S5 |
|---|---|
| Molecular Weight | 550.26 g/mol |
| LogP | 12.4 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 550.25775 |
| Heavy Atoms | 33 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 59656-20-1 |
|---|---|
| SMILES | CCCCCCCCCC(C)(C)SSC1=NN=C(S1)SSC(C)(C)CCCCCCCCC |
| InChIKey | XFAHFFMTBQKDHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- (CAS 59656-20-1), with molecular formula C26H50N2S5 and molecular weight 550.26 g/mol. IUPAC: 2,5-bis(2-methylundecan-2-yldisulfanyl)-1,3,4-thiadiazole.
Chemical Property Profile of 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-
Property Insights of 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-
The XLogP value of 12.4 indicates that 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-?
The CAS number of 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- is 59656-20-1.
What is the molecular formula of 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-?
The molecular formula of 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- is C26H50N2S5.
What is the molecular weight of 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-?
The molecular weight of 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- is 550.26 g/mol.
Where can I buy 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-?
You can request a quote for 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.