![5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol structure](/static/products/3092/309283-88-3.webp)
5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
TL;DR: 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 309283-88-3) 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.
5-propan-2-yl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: ChemDiv1_027716, ZERO/001330, 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, 5-Isopropyl-3-mercapto-5H-1,2,4-triazino[5,6-b]indole, 5-Isopropyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 3.22299 |
| 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 | 753.8719 |
Chemical Identifiers
| CAS Number | 309283-88-3 |
|---|---|
| SMILES | CC(C)N1C2=CC=CC=C2C3=NNC(=S)N=C31 |
Product Overview
5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol (CAS 309283-88-3), with molecular formula C12H12N4S and molecular weight 244.08 g/mol. IUPAC: 5-propan-2-yl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
Property Insights of 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol
The XLogP value of 3.22299 indicates that 5-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-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-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The CAS number of 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 309283-88-3.
What is the molecular formula of 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular formula of 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is C12H12N4S.
What is the molecular weight of 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
The molecular weight of 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol is 244.08 g/mol.
Where can I buy 5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
You can request a quote for 5-(propan-2-yl)-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-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(propan-2-yl)-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.