1,3,4-Thiadiazole, 2,5-bis(octyldithio)-
TL;DR: 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- (CAS 13539-13-4) is a chemical compound with molecular formula C18H34N2S5 and molecular weight 438.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole
Also Known As: 2,5-Bis(octyldithio)-1,3,4-thiadiazole, diazole, 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-, 2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole, 5-Bromo-3-pyridinamine
| Molecular Formula | C18H34N2S5 |
|---|---|
| Molecular Weight | 438.13 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 438.13257 |
| Heavy Atoms | 25 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 13539-13-4 |
|---|---|
| SMILES | CCCCCCCCSSC1=NN=C(S1)SSCCCCCCCC |
| InChIKey | ZFOMEJJNWNWWIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4-Thiadiazole, 2,5-bis(octyldithio)- (CAS 13539-13-4), with molecular formula C18H34N2S5 and molecular weight 438.13 g/mol. IUPAC: 2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole.
Chemical Property Profile of 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-
Property Insights of 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-
The XLogP value of 9.0 indicates that 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- 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(octyldithio)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- 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(octyldithio)-?
The CAS number of 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- is 13539-13-4.
What is the molecular formula of 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-?
The molecular formula of 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- is C18H34N2S5.
What is the molecular weight of 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-?
The molecular weight of 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- is 438.13 g/mol.
Where can I buy 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-?
You can request a quote for 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- 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(octyldithio)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.