5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol (CAS 149622-78-6) is a chemical compound with molecular formula C11H12N4S and molecular weight 232.07826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-aminophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
Also Known As: ASN 04080521, 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol, 4-Allyl-5-(4-amino-phenyl)-4H-[1,2,4]triazole-3-thiol, 3-(4-aminophenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione, 4-Allyl-5-(4-aminophenyl)-2H-1,2,4-triazole-3(4H)-thione
Technical Specifications
| Molecular Formula | C11H12N4S |
| Molecular Weight | 232.07826 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.07826 Da |
| Heavy Atoms | 16 |
| Complexity | 318.0 |
| SMILES | C=CCN1C(=NNC1=S)C2=CC=C(C=C2)N |
| InChIKey | JQCBOQCPGJTUBH-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol has 2 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 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is 149622-78-6.
What is the molecular formula of 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is C11H12N4S.
What is the molecular weight of 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol is 232.07826 g/mol.
Where can I buy 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(4-aminophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.