5-Mercapto-1H-1,2,3-triazole-4-carboxamide
TL;DR: 5-Mercapto-1H-1,2,3-triazole-4-carboxamide (CAS 99417-89-7) is a chemical compound with molecular formula C3H4N4OS and molecular weight 144.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide
Also Known As: 5-mercapto-1,2,3-triazole-4-carboxamide, 5-Mercapto-1H-1,2,3-triazole-4-carboxamide, 5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide, AF-407/32636015, 5-SULFANYL-1H-1,2,3-TRIAZOLE-4-CARBOXAMIDE
| Molecular Formula | C3H4N4OS |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | -0.43381 |
| Topological Polar Surface Area | 87.56 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.01057 |
| Heavy Atoms | 9 |
| Complexity | 273.34015 |
Chemical Identifiers
| CAS Number | 99417-89-7 |
|---|---|
| SMILES | C1(=NNNC1=S)C(=O)N |
Product Overview
5-Mercapto-1H-1,2,3-triazole-4-carboxamide (CAS 99417-89-7), with molecular formula C3H4N4OS and molecular weight 144.01 g/mol. IUPAC: 5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide.
Chemical Property Profile of 5-Mercapto-1H-1,2,3-triazole-4-carboxamide
Property Insights of 5-Mercapto-1H-1,2,3-triazole-4-carboxamide
The XLogP value of -0.43381 indicates that 5-Mercapto-1H-1,2,3-triazole-4-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Mercapto-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-Mercapto-1H-1,2,3-triazole-4-carboxamide has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Mercapto-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 5-Mercapto-1H-1,2,3-triazole-4-carboxamide is 99417-89-7.
What is the molecular formula of 5-Mercapto-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 5-Mercapto-1H-1,2,3-triazole-4-carboxamide is C3H4N4OS.
What is the molecular weight of 5-Mercapto-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 5-Mercapto-1H-1,2,3-triazole-4-carboxamide is 144.01 g/mol.
Where can I buy 5-Mercapto-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 5-Mercapto-1H-1,2,3-triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercapto-1H-1,2,3-triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercapto-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.