![8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol structure](/static/products/7026/702649-94-3.webp)
8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
TL;DR: 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 702649-94-3) is a chemical compound with molecular formula C12H12N4S and molecular weight 244.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: ChemDiv3_005220, 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, IDI1_023130, 8-ethyl-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione, AP-355/43478710
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.74149 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.07826 |
| Heavy Atoms | 17 |
| Complexity | 769.1075 |
Chemical Identifiers
| CAS Number | 702649-94-3 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)N(C3=NC(=S)NN=C23)C |
Product Overview
8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 702649-94-3), with molecular formula C12H12N4S and molecular weight 244.08 g/mol. IUPAC: 8-ethyl-5-methyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Property Insights of 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
The XLogP value of 2.74149 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol. With a topological polar surface area (TPSA) of 46.5 Ų, 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol has 1 hydrogen bond donor(s) and 3 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 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The CAS number of 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 702649-94-3.
What is the molecular formula of 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular formula of 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is C12H12N4S.
What is the molecular weight of 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular weight of 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 244.08 g/mol.
Where can I buy 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
You can request a quote for 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 8-ethyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.