![2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione structure](/static/products/3604/36047-56-0.webp)
2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione
TL;DR: 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione (CAS 36047-56-0) 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-propyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione
Also Known As: 5-Propyl-5H-[1,2,4]triazino[5,6-b]indole-3-thiol, ChemDiv1_025601, ZERO/001262, 5-propyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione, 3-Mercapto-5-propyl-5H-1,2,4-triazino[5,6-b]indole
| Molecular Formula | C12H12N4S |
|---|---|
| Molecular Weight | 244.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.07826 |
| Heavy Atoms | 17 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 36047-56-0 |
|---|---|
| SMILES | CCCN1C2=CC=CC=C2C3=NNC(=S)N=C31 |
| InChIKey | VKBHDEMYBUCXJW-UHFFFAOYSA-N |
Product Overview
2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione (CAS 36047-56-0), with molecular formula C12H12N4S and molecular weight 244.08 g/mol. IUPAC: 5-propyl-2H-[1,2,4]triazino[5,6-b]indole-3-thione.
Chemical Property Profile of 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione
Property Insights of 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione. Following Lipinski's Rule of Five, 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione 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 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione?
The CAS number of 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione is 36047-56-0.
What is the molecular formula of 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione?
The molecular formula of 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione is C12H12N4S.
What is the molecular weight of 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione?
The molecular weight of 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione is 244.08 g/mol.
Where can I buy 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione?
You can request a quote for 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dihydro-5-propyl-3H-1,2,4-triazino[5,6-b]indole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.