3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole
TL;DR: 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole (CAS 710982-63-1) is a chemical compound with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole
Also Known As: 3-benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole, 3-(benzylsulfanyl)-5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazole, 3-(benzylthio)-5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazole, 5-(3-chlorophenyl)-4-methyl-3-(phenylmethylthio)-1,2,4-triazole
| Molecular Formula | C16H14ClN3S |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 4.4278 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.0597 |
| Heavy Atoms | 21 |
| Complexity | 740.28784 |
Chemical Identifiers
| CAS Number | 710982-63-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=CC=C2)C3=CC(=CC=C3)Cl |
Product Overview
3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole (CAS 710982-63-1), with molecular formula C16H14ClN3S and molecular weight 315.06 g/mol. IUPAC: 3-benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole
Property Insights of 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole
The XLogP value of 4.4278 indicates that 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-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 30.71 Ų, 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole has 0 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-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
The CAS number of 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole is 710982-63-1.
What is the molecular formula of 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
The molecular formula of 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole is C16H14ClN3S.
What is the molecular weight of 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
The molecular weight of 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole is 315.06 g/mol.
Where can I buy 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
You can request a quote for 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-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-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylsulfanyl-5-(3-chlorophenyl)-4-methyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.