1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-
TL;DR: 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)- (CAS 113766-05-5) is a chemical compound with molecular formula C10H12N4OS and molecular weight 236.07318 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-, 4-amino-3-[(4-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-Amino-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazole-3-thiol, J1.178.641C, 3-p-tolyoxymethyl-4-amino-5-mercapto-(4H)-1,2,4-triazole
Technical Specifications
| Molecular Formula | C10H12N4OS |
| Molecular Weight | 236.07318 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 95.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07318 Da |
| Heavy Atoms | 16 |
| Complexity | 299.0 |
| SMILES | CC1=CC=C(C=C1)OCC2=NNC(=S)N2N |
| InChIKey | HJKIXHOOIHRORL-UHFFFAOYSA-N |
Chemical Property Profile of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-
Property Insights of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)- 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 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-?
The CAS number of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)- is 113766-05-5.
What is the molecular formula of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-?
The molecular formula of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)- is C10H12N4OS.
What is the molecular weight of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-?
The molecular weight of 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)- is 236.07318 g/mol.
Where can I buy 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-?
You can request a quote for 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)-?
Yes, CoreyChem provides custom synthesis services for 1H-1,2,4-Triazole-5-thione, 4-amino-3-((4-methylphenoxy)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.