3,3'-Dithiobis(1H-1,2,4-triazole)
TL;DR: 3,3'-Dithiobis(1H-1,2,4-triazole) (CAS 14804-01-4) is a chemical compound with molecular formula C4H4N6S2 and molecular weight 199.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-1,2,4-triazol-5-yldisulfanyl)-1H-1,2,4-triazole
Also Known As: starbld0002923, 3,3'-Dithiobis(1H-1,2,4-triazole), 1,2-Di(1H-1,2,4-triazol-3-yl)disulfane, 1,2,4-triazol-3-yl disulfide, 1H-1,2,4-Triazole, 5,5'-dithiobis-
| Molecular Formula | C4H4N6S2 |
|---|---|
| Molecular Weight | 199.99 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.99388 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 14804-01-4 |
|---|---|
| SMILES | C1=NNC(=N1)SSC2=NC=NN2 |
| InChIKey | QDQRBNVXOJWPIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dithiobis(1H-1,2,4-triazole) (CAS 14804-01-4), with molecular formula C4H4N6S2 and molecular weight 199.99 g/mol. IUPAC: 5-(1H-1,2,4-triazol-5-yldisulfanyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3,3'-Dithiobis(1H-1,2,4-triazole)
Property Insights of 3,3'-Dithiobis(1H-1,2,4-triazole)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Dithiobis(1H-1,2,4-triazole). The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Dithiobis(1H-1,2,4-triazole). Following Lipinski's Rule of Five, 3,3'-Dithiobis(1H-1,2,4-triazole) has 2 hydrogen bond donor(s) and 6 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 3,3'-Dithiobis(1H-1,2,4-triazole)?
The CAS number of 3,3'-Dithiobis(1H-1,2,4-triazole) is 14804-01-4.
What is the molecular formula of 3,3'-Dithiobis(1H-1,2,4-triazole)?
The molecular formula of 3,3'-Dithiobis(1H-1,2,4-triazole) is C4H4N6S2.
What is the molecular weight of 3,3'-Dithiobis(1H-1,2,4-triazole)?
The molecular weight of 3,3'-Dithiobis(1H-1,2,4-triazole) is 199.99 g/mol.
Where can I buy 3,3'-Dithiobis(1H-1,2,4-triazole)?
You can request a quote for 3,3'-Dithiobis(1H-1,2,4-triazole) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dithiobis(1H-1,2,4-triazole)?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dithiobis(1H-1,2,4-triazole) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.