3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione
TL;DR: 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione (CAS 151017-99-1) is a chemical compound with molecular formula C12H18N4S and molecular weight 250.12521 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1-adamantyl)-4-amino-1H-1,2,4-triazole-5-thione
Also Known As: NCI60_022880, 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione, 3-(1-adamantyl)-4-amino-1H-1,2,4-triazole-5-thione, J2.419.576G, 5-(1-adamantyl)-4-amino-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C12H18N4S |
| Molecular Weight | 250.12521 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.12521 Da |
| Heavy Atoms | 17 |
| Complexity | 375.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4N |
| InChIKey | SBMKCHWGSHDOJU-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione
Property Insights of 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione 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 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione is 151017-99-1.
What is the molecular formula of 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione is C12H18N4S.
What is the molecular weight of 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione is 250.12521 g/mol.
Where can I buy 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 3-(1-adamantyl)-4-amino-4,5-dihydro-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.