1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole
TL;DR: 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole (CAS 252-03-9) is a chemical compound with molecular formula C3H2N4S and molecular weight 126.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: NCIOpen2_001975, 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, [1,2,4]Triazolo[3,4-b][1,3,4]thiadiazole, J1.051.598J, 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole
| Molecular Formula | C3H2N4S |
|---|---|
| Molecular Weight | 126.00 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.000015 |
| Heavy Atoms | 8 |
| Complexity | 97.0 |
Chemical Identifiers
| CAS Number | 252-03-9 |
|---|---|
| SMILES | C1=NN=C2N1N=CS2 |
| InChIKey | GNSPINPIWPZMKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole (CAS 252-03-9), with molecular formula C3H2N4S and molecular weight 126.00 g/mol. IUPAC: [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole
Property Insights of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole. Following Lipinski's Rule of Five, 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole has 0 hydrogen bond donor(s) and 4 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 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole?
The CAS number of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole is 252-03-9.
What is the molecular formula of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole?
The molecular formula of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole is C3H2N4S.
What is the molecular weight of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole?
The molecular weight of 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole is 126.00 g/mol.
Where can I buy 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole?
You can request a quote for 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.