3-Amino-5-mercapto-1,2,4-triazole
TL;DR: 3-Amino-5-mercapto-1,2,4-triazole (CAS 16691-43-3) is a chemical compound with molecular formula C2H4N4S and molecular weight 116.01567 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 3-Amino-5-mercapto-1,2,4-triazole, Iminothiourazole, 3-Imino-5-thiourazole, 3-amino-1H-1,2,4-triazole-5-thiol, 3-Amino-1,2,4-triazole-5-thiol
Technical Specifications
| Molecular Formula | C2H4N4S |
| Molecular Weight | 116.01567 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 116.01567 Da |
| Heavy Atoms | 7 |
| Complexity | 128.0 |
| SMILES | C1(=NC(=S)NN1)N |
| InChIKey | WZUUZPAYWFIBDF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Amino-5-mercapto-1,2,4-triazole
Property Insights of 3-Amino-5-mercapto-1,2,4-triazole
The XLogP value of -0.8 indicates that 3-Amino-5-mercapto-1,2,4-triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-5-mercapto-1,2,4-triazole. Following Lipinski's Rule of Five, 3-Amino-5-mercapto-1,2,4-triazole has 3 hydrogen bond donor(s) and 1 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-Amino-5-mercapto-1,2,4-triazole?
The CAS number of 3-Amino-5-mercapto-1,2,4-triazole is 16691-43-3.
What is the molecular formula of 3-Amino-5-mercapto-1,2,4-triazole?
The molecular formula of 3-Amino-5-mercapto-1,2,4-triazole is C2H4N4S.
What is the molecular weight of 3-Amino-5-mercapto-1,2,4-triazole?
The molecular weight of 3-Amino-5-mercapto-1,2,4-triazole is 116.01567 g/mol.
Where can I buy 3-Amino-5-mercapto-1,2,4-triazole?
You can request a quote for 3-Amino-5-mercapto-1,2,4-triazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Amino-5-mercapto-1,2,4-triazole?
Yes, CoreyChem provides custom synthesis services for 3-Amino-5-mercapto-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.