![5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol structure](/static/products/7369/736968-36-8.webp)
5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
TL;DR: 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 736968-36-8) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,8-diethyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, BAS 07100684, 5,8-diethyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione, 6,9-Diethyl-9H-1,3,4,9-tetraaza-fluorene-2-thiol, AP-355/43478711
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.22439 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 784.6268 |
Chemical Identifiers
| CAS Number | 736968-36-8 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)N(C3=NC(=S)NN=C23)CC |
Product Overview
5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 736968-36-8), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 5,8-diethyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Property Insights of 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
The XLogP value of 3.22439 indicates that 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5,8-diethyl-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, 5,8-diethyl-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 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The CAS number of 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 736968-36-8.
What is the molecular formula of 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular formula of 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is C13H14N4S.
What is the molecular weight of 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular weight of 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 258.09 g/mol.
Where can I buy 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
You can request a quote for 5,8-diethyl-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 5,8-diethyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5,8-diethyl-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.