2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 126016-37-3) is a chemical compound with molecular formula C17H13ClN4S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione, 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-, 3H-1,2,4-Triazole-3-thione,5-(5-chloro-3-methyl-1H-indol-2-yl)-2,4-dihydro-4-phenyl-, (5Z)-5-(5-chloro-3-methylindol-2-ylidene)-4-phenyl-1,2,4-triazolidine-3-thione, RefChem:1068911
| Molecular Formula | C17H13ClN4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 5.04001 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.05493 |
| Heavy Atoms | 23 |
| Complexity | 1059.3345 |
Chemical Identifiers
| CAS Number | 126016-37-3 |
|---|---|
| SMILES | CC1=C(NC2=C1C=C(C=C2)Cl)C3=NNC(=S)N3C4=CC=CC=C4 |
Product Overview
2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione (CAS 126016-37-3), with molecular formula C17H13ClN4S and molecular weight 340.05 g/mol. IUPAC: 3-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione
The XLogP value of 5.04001 indicates that 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-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, 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione is 126016-37-3.
What is the molecular formula of 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione is C17H13ClN4S.
What is the molecular weight of 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione is 340.05 g/mol.
Where can I buy 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-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 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-(5-chloro-3-methyl-1H-indol-2-yl)-4-phenyl-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.