N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
TL;DR: N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide (CAS 1025268-74-9) is a chemical compound with molecular formula C12H12N4OS and molecular weight 260.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
Also Known As: N-(4-METHYLTHIO(3H-2,3,5-TRIAZOLYL))-3-PHENYLPROP-2-ENAMIDE, N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide, N-(5-methylsulfanyl-2H-1,2,4-triazol-3-yl)-3-phenyl-prop-2-enamide
Technical Specifications
| Molecular Formula | C12H12N4OS |
| Molecular Weight | 260.07318 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.07318 Da |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
| SMILES | CSC1=NNC(=N1)NC(=O)C=CC2=CC=CC=C2 |
| InChIKey | FOHNKYHXLLDUFT-UHFFFAOYSA-N |
Chemical Property Profile of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
Property Insights of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide. Following Lipinski's Rule of Five, N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
The CAS number of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide is 1025268-74-9.
What is the molecular formula of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
The molecular formula of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide is C12H12N4OS.
What is the molecular weight of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
The molecular weight of N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide is 260.07318 g/mol.
Where can I buy N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
You can request a quote for N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide?
Yes, CoreyChem provides custom synthesis services for N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-phenylprop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.