![3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole structure](/static/products/852/852141-99-2.png)
3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole
TL;DR: 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole (CAS 852141-99-2) is a chemical compound with molecular formula C15H18N4S and molecular weight 286.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1H-indole
Also Known As: 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole, 3-[5-(butylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1H-indole, 3-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1H-indole, 3-(5-(butylthio)-4-methyl-4H-1,2,4-triazol-3-yl)-1H-indole, (3Z)-3-(3-butylsulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene)indole
| Molecular Formula | C15H18N4S |
|---|---|
| Molecular Weight | 286.13 g/mol |
| LogP | 3.8556 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.1252 |
| Heavy Atoms | 20 |
| Complexity | 713.56323 |
Chemical Identifiers
| CAS Number | 852141-99-2 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C)C2=CNC3=CC=CC=C32 |
Product Overview
3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole (CAS 852141-99-2), with molecular formula C15H18N4S and molecular weight 286.13 g/mol. IUPAC: 3-(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1H-indole.
Chemical Property Profile of 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole
Property Insights of 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole
The XLogP value of 3.8556 indicates that 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole has 1 hydrogen bond donor(s) and 3 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 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole?
The CAS number of 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole is 852141-99-2.
What is the molecular formula of 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole?
The molecular formula of 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole is C15H18N4S.
What is the molecular weight of 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole?
The molecular weight of 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole is 286.13 g/mol.
Where can I buy 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole?
You can request a quote for 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(butylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.