3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole
TL;DR: 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole (CAS 467436-08-4) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-3-benzylsulfanyl-1H-1,2,4-triazole
Also Known As: 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole, 5-benzyl-3-benzylsulfanyl-1H-1,2,4-triazole, 3-benzyl-5-(benzylthio)-4H-1,2,4-triazole, 3-(Phenylmethyl)-5-[(phenylmethyl)thio]-1H-1,2,4-triazole
| Molecular Formula | C16H15N3S |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.6878 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.09866 |
| Heavy Atoms | 20 |
| Complexity | 649.7534 |
Chemical Identifiers
| CAS Number | 467436-08-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(=NN2)SCC3=CC=CC=C3 |
Product Overview
3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole (CAS 467436-08-4), with molecular formula C16H15N3S and molecular weight 281.10 g/mol. IUPAC: 5-benzyl-3-benzylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole
Property Insights of 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole
The XLogP value of 3.6878 indicates that 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole 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-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole?
The CAS number of 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole is 467436-08-4.
What is the molecular formula of 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole?
The molecular formula of 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole is C16H15N3S.
What is the molecular weight of 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole?
The molecular weight of 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole is 281.10 g/mol.
Where can I buy 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole?
You can request a quote for 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-benzyl-5-(benzylsulfanyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.