7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine
TL;DR: 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine (CAS 21119-72-2) is a chemical compound with molecular formula C4H3N5S and molecular weight 153.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-[1,2,4]triazolo[4,3-b][1,2,4]triazine-7-thione
Also Known As: 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine, 8H-[1,2,4]triazolo[4,3-b][1,2,4]triazine-7-thione, 1H-[1,2,4]triazolo[4,3-b][1,2,4]triazine-7-thione, [1,2,4]Triazolo[4,3-b][1,2,4]triazine-7(1H)-thione #
| Molecular Formula | C4H3N5S |
|---|---|
| Molecular Weight | 153.01 g/mol |
| LogP | 0.18189 |
| Topological Polar Surface Area | 58.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.01091 |
| Heavy Atoms | 10 |
| Complexity | 400.9402 |
Chemical Identifiers
| CAS Number | 21119-72-2 |
|---|---|
| SMILES | C1=NN2C=NNC2=NC1=S |
Product Overview
7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine (CAS 21119-72-2), with molecular formula C4H3N5S and molecular weight 153.01 g/mol. IUPAC: 1H-[1,2,4]triazolo[4,3-b][1,2,4]triazine-7-thione.
Chemical Property Profile of 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine
Property Insights of 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine
The XLogP value of 0.18189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine. With a topological polar surface area (TPSA) of 58.87 Ų, 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine 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 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine?
The CAS number of 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine is 21119-72-2.
What is the molecular formula of 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine?
The molecular formula of 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine is C4H3N5S.
What is the molecular weight of 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine?
The molecular weight of 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine is 153.01 g/mol.
Where can I buy 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine?
You can request a quote for 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine?
Yes, KEHONG BIO provides custom synthesis services for 7-Thioxo-1,7-dihydro-triazolo(4,3-b)-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.