![4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione structure](/static/products/102/1024582-10-2.png)
4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
TL;DR: 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 1024582-10-2) is a chemical compound with molecular formula C18H13N7S2 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione, 4-phenyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione, 4-PHENYL-3-(2,3,6-TRIAZINO[5,4-B]INDOL-3-YLTHIOMETHYL)-1,2,4-TRIAZOLINE-5-THIONE, 4-phenyl-3-(1,2,4-triazino[5,6-b]indol-3-ylthiomethyl)-1,2,4-triazoline-5-thio ne, 4-PHENYL-5-({5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YLSULFANYL}METHYL)-2H-1,2,4-TRIAZOLE-3-THIONE
| Molecular Formula | C18H13N7S2 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 4.04169 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.06738 |
| Heavy Atoms | 27 |
| Complexity | 1303.8099 |
Chemical Identifiers
| CAS Number | 1024582-10-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 |
Product Overview
4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 1024582-10-2), with molecular formula C18H13N7S2 and molecular weight 391.07 g/mol. IUPAC: 4-phenyl-3-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
Property Insights of 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
The XLogP value of 4.04169 indicates that 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione has 2 hydrogen bond donor(s) and 6 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 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The CAS number of 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione is 1024582-10-2.
What is the molecular formula of 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione is C18H13N7S2.
What is the molecular weight of 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione is 391.07 g/mol.
Where can I buy 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-phenyl-3-({5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}methyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.