5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
TL;DR: 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole (CAS 1023843-26-6) is a chemical compound with molecular formula C13H15N3O2S and molecular weight 277.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
Also Known As: 2,3-DIMETHOXY-1-(4-PROP-2-ENYLTHIO(2H-2,3,5-TRIAZOLYL))BENZENE, 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole, 3-allylsulfanyl-5-(2,3-dimethoxyphenyl)-1H-1,2,4-triazole, 3-(2,3-dimethoxyphenyl)-5-prop-2-enylsulfanyl-2H-1,2,4-triazole, 5-(2,3-dimethoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)-1H-1,2,4-triazole
Technical Specifications
| Molecular Formula | C13H15N3O2S |
| Molecular Weight | 277.0885 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 277.0885 Da |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
| SMILES | COC1=CC=CC(=C1OC)C2=NC(=NN2)SCC=C |
| InChIKey | NKCPQBKIFQERIB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
Property Insights of 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
The XLogP value of 3.1 indicates that 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
The CAS number of 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole is 1023843-26-6.
What is the molecular formula of 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
The molecular formula of 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole is C13H15N3O2S.
What is the molecular weight of 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
The molecular weight of 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole is 277.0885 g/mol.
Where can I buy 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
You can request a quote for 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 5-(2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.