![4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione structure](/static/products/4360/436096-84-3.webp)
4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione
TL;DR: 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione (CAS 436096-84-3) 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.
4-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione, SDCCGMLS-0065226.P001, 4-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione, BAS 04391825, 4-Methyl-3-((2-methyl-1H-indol-3-yl)methyl)-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 2.85821 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 762.7334 |
Chemical Identifiers
| CAS Number | 436096-84-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)CC3=NNC(=S)N3C |
Product Overview
4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione (CAS 436096-84-3), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 4-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione
Property Insights of 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione
The XLogP value of 2.85821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione. With a topological polar surface area (TPSA) of 49.4 Ų, 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione has 2 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 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione?
The CAS number of 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione is 436096-84-3.
What is the molecular formula of 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione?
The molecular formula of 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione is C13H14N4S.
What is the molecular weight of 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione?
The molecular weight of 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione is 258.09 g/mol.
Where can I buy 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione?
You can request a quote for 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-(2-methyl-1H-indol-3-ylmethyl)-2,4-dihydro-[1,2,4]triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.