![3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol structure](/static/products/7907/79074-69-4.webp)
3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol
TL;DR: 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol (CAS 79074-69-4) is a chemical compound with molecular formula C10H8N4S2 and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione
Also Known As: 5-Benzyltriazolo[3,4-b]thiadiazol-2-thiol, 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol, 3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol, 3-benzyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione
| Molecular Formula | C10H8N4S2 |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 2.43919 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.01904 |
| Heavy Atoms | 16 |
| Complexity | 664.7534 |
Chemical Identifiers
| CAS Number | 79074-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C3N2NC(=S)S3 |
Product Overview
3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol (CAS 79074-69-4), with molecular formula C10H8N4S2 and molecular weight 248.02 g/mol. IUPAC: 3-benzyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione.
Chemical Property Profile of 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol
Property Insights of 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol
The XLogP value of 2.43919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol. With a topological polar surface area (TPSA) of 45.98 Ų, 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol has 1 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 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol?
The CAS number of 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol is 79074-69-4.
What is the molecular formula of 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol?
The molecular formula of 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol is C10H8N4S2.
What is the molecular weight of 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol?
The molecular weight of 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol is 248.02 g/mol.
Where can I buy 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol?
You can request a quote for 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.