4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-
TL;DR: 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl- (CAS 40279-27-4) 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.
3-methyl-5-methylsulfanyl-4-phenyl-1,2,4-triazole
Also Known As: BAS 02071275, methyl-3-methylthio-4-phenyl-1,2,4-triazole, 3-methyl-5-methylsulfanyl-4-phenyl-1,2,4-triazole, 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-, 5-methyl-3-methylthio-4-phenyl-1,2,4-triazole
| Molecular Formula | C10H11N3S |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.29762 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.06737 |
| Heavy Atoms | 14 |
| Complexity | 422.18707 |
Chemical Identifiers
| CAS Number | 40279-27-4 |
|---|---|
| SMILES | CC1=NN=C(N1C2=CC=CC=C2)SC |
Product Overview
4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl- (CAS 40279-27-4), with molecular formula C10H11N3S and molecular weight 205.07 g/mol. IUPAC: 3-methyl-5-methylsulfanyl-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-
Property Insights of 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-
The XLogP value of 2.29762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-. With a topological polar surface area (TPSA) of 30.71 Ų, 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-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 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-?
The CAS number of 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl- is 40279-27-4.
What is the molecular formula of 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-?
The molecular formula of 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl- is C10H11N3S.
What is the molecular weight of 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-?
The molecular weight of 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl- is 205.07 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-?
You can request a quote for 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazole, 3-methyl-5-(methylthio)-4-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.