![5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol structure](/static/products/3604/36047-60-6.webp)
5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
TL;DR: 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 36047-60-6) is a chemical compound with molecular formula C16H12N4S and molecular weight 292.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, TimTec1_005612, 5-benzyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione, ZERO/001264, 1599AE
| Molecular Formula | C16H12N4S |
|---|---|
| Molecular Weight | 292.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.07828 |
| Heavy Atoms | 21 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 36047-60-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=NNC(=S)N=C42 |
| InChIKey | CMWAFGJNLNZSMR-UHFFFAOYSA-N |
Product Overview
5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 36047-60-6), with molecular formula C16H12N4S and molecular weight 292.08 g/mol. IUPAC: 5-benzyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Property Insights of 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol. Following Lipinski's Rule of Five, 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol has 1 hydrogen bond donor(s) and 2 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-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The CAS number of 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 36047-60-6.
What is the molecular formula of 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular formula of 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is C16H12N4S.
What is the molecular weight of 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular weight of 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 292.08 g/mol.
Where can I buy 5-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
You can request a quote for 5-benzyl-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-benzyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-benzyl-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.