1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione
TL;DR: 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione (CAS 54649-00-2) is a chemical compound with molecular formula C19H18N4S and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 2,4-Dihydro-5-((2-methyl-1H-indol-3-yl)methyl)-4-(4-methylphenyl)-3H-1,2,4-triazole-3-thione, 1-(2-METHYLINDOLYL)METHYL-1,2,4-TRIAZOL-2-THIONE, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-((2-methyl-1H-indol-3-yl)methyl)-4-(4-methylphenyl)-, 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione, 3-[(2-Methyl-1H-indole-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5(4H)-thione
| Molecular Formula | C19H18N4S |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 4.61883 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.1252 |
| Heavy Atoms | 24 |
| Complexity | 1066.8915 |
Chemical Identifiers
| CAS Number | 54649-00-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NNC2=S)CC3=C(NC4=CC=CC=C43)C |
Product Overview
1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione (CAS 54649-00-2), with molecular formula C19H18N4S and molecular weight 334.13 g/mol. IUPAC: 3-[(2-methyl-1H-indol-3-yl)methyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione
Property Insights of 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione
The XLogP value of 4.61883 indicates that 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.4 Ų, 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-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 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione?
The CAS number of 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione is 54649-00-2.
What is the molecular formula of 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione?
The molecular formula of 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione is C19H18N4S.
What is the molecular weight of 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione?
The molecular weight of 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione is 334.13 g/mol.
Where can I buy 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione?
You can request a quote for 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylindolyl)methyl-1,2,4-triazol-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.