![Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate structure](/static/products/1263/126335-04-4.webp)
Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
TL;DR: Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate (CAS 126335-04-4) is a chemical compound with molecular formula C12H12N4O2S and molecular weight 276.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
Also Known As: 4-Amino-3-methoxycarbonylvinylthio-5-phenyl-1,2,4-triazole, 2-Propenoic acid,3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop, Methyl 3-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-2-propenoate, 2-Propenoic acid, 3-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-, methyl ester
Technical Specifications
| Molecular Formula | C12H12N4O2S |
| Molecular Weight | 276.06808 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.06808 Da |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
| SMILES | COC(=O)C=CSC1=NN=C(N1N)C2=CC=CC=C2 |
| InChIKey | RLNQCCVTUCBATR-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
Property Insights of Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
The CAS number of Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate is 126335-04-4.
What is the molecular formula of Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
The molecular formula of Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate is C12H12N4O2S.
What is the molecular weight of Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
The molecular weight of Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate is 276.06808 g/mol.
Where can I buy Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
You can request a quote for Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.