4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl-
TL;DR: 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- (CAS 33199-66-5) is a chemical compound with molecular formula C15H13N3S and molecular weight 267.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-4,5-diphenyl-1,2,4-triazole
Also Known As: TimTec1_001367, 3-(METHYLTHIO)-4,5-DIPHENYL-4H-1,2,4-TRIAZOLE, 3-methylsulfanyl-4,5-diphenyl-1,2,4-triazole, 3-(methylsulfanyl)-4,5-diphenyl-4H-1,2,4-triazole, 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl-
| Molecular Formula | C15H13N3S |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.083 |
| Heavy Atoms | 19 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 33199-66-5 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | PAKRAHUFFMXUFR-UHFFFAOYSA-N |
Product Overview
4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- (CAS 33199-66-5), with molecular formula C15H13N3S and molecular weight 267.08 g/mol. IUPAC: 3-methylsulfanyl-4,5-diphenyl-1,2,4-triazole.
Chemical Property Profile of 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl-
Property Insights of 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl-
The XLogP value of 3.6 indicates that 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.0 Ų, 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- 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-(methylthio)-4,5-diphenyl-?
The CAS number of 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- is 33199-66-5.
What is the molecular formula of 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl-?
The molecular formula of 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- is C15H13N3S.
What is the molecular weight of 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl-?
The molecular weight of 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- is 267.08 g/mol.
Where can I buy 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl-?
You can request a quote for 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- 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-(methylthio)-4,5-diphenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-triazole, 3-(methylthio)-4,5-diphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.