1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
TL;DR: 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- (CAS 56501-80-5) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
Also Known As: 4-methyl-3-(methylthio)-5-phenyl-4h-1,2,4-triazole, Maybridge3_007348, Boc-D-2-nitrophenylalanine, BAS 02170817, 4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 56501-80-5 |
|---|---|
| SMILES | CN1C(=NN=C1SC)C2=CC=CC=C2 |
| InChIKey | YQMPWJBMMZNZRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- (CAS 56501-80-5), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 4-methyl-3-methylsulfanyl-5-phenyl-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
Property Insights of 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-. With a topological polar surface area (TPSA) of 56.0 Ų, 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- 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 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-?
The CAS number of 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- is 56501-80-5.
What is the molecular formula of 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-?
The molecular formula of 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- is C10H11N3S.
What is the molecular weight of 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-?
The molecular weight of 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- is 205.07 g/mol.
Where can I buy 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-?
You can request a quote for 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.