4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol (CAS 151297-83-5) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.07828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol, TimTec1_004831, 4-amino-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione, 4-Amino-5-naphthalen-1-ylmethyl-4H-[1,2,4]triazole-3-thiol, 4-amino-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C13H12N4S |
| Molecular Weight | 256.07828 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.07828 Da |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2CC3=NNC(=S)N3N |
| InChIKey | PGIIWYILQYIDHT-UHFFFAOYSA-N |
Chemical Property Profile of 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-amino-5-(naphthalen-1-ylmethyl)-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 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol is 151297-83-5.
What is the molecular formula of 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol is C13H12N4S.
What is the molecular weight of 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol is 256.07828 g/mol.
Where can I buy 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-amino-5-(naphthalen-1-ylmethyl)-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 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-amino-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.