4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-
TL;DR: 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl- (CAS 116850-61-4) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08302 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethylsulfanyl-4-methyl-5-phenyl-1,2,4-triazole
Also Known As: 3-(Ethylthio)-4-methyl-5-phenyl-4H-1,2,4-triazole, 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-, 3-ethylsulfanyl-4-methyl-5-phenyl-1,2,4-triazole, 5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole, 3-(ethylsulfanyl)-4-methyl-5-phenyl-4H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.08302 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 56.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08302 Da |
| Heavy Atoms | 15 |
| Complexity | 194.0 |
| SMILES | CCSC1=NN=C(N1C)C2=CC=CC=C2 |
| InChIKey | MWKWMNGWIBKDCM-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-
Property Insights of 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-. With a topological polar surface area (TPSA) of 56.0 Ų, 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-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
What is the CAS number of 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-?
The CAS number of 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl- is 116850-61-4.
What is the molecular formula of 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-?
The molecular formula of 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl- is C11H13N3S.
What is the molecular weight of 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-?
The molecular weight of 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl- is 219.08302 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-?
You can request a quote for 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl-?
Yes, CoreyChem provides custom synthesis services for 4H-1,2,4-Triazole, 3-(ethylthio)-4-methyl-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.