4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine
TL;DR: 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine (CAS 1174838-26-6) is a chemical compound with molecular formula C8H11N5O3S and molecular weight 257.05826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-aminobenzenesulfonic acid;1H-1,2,4-triazol-5-amine
Also Known As: 4-aminobenzenesulfonic acid; 1H-1,2,4-triazol-5-amine, 4-aminobenzenesulfonic acid;1H-1,2,4-triazol-5-amine, 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine
Technical Specifications
| Molecular Formula | C8H11N5O3S |
| Molecular Weight | 257.05826 g/mol |
| XLogP | -0.0976 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.05826 Da |
| Heavy Atoms | 17 |
| Complexity | 255.0 |
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)O.C1=NNC(=N1)N |
| InChIKey | KRFPLYSGDUJTMN-UHFFFAOYSA-N |
Chemical Property Profile of 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine
Property Insights of 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine
The XLogP value of -0.0976 indicates that 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine has 4 hydrogen bond donor(s) and 7 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-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine?
The CAS number of 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine is 1174838-26-6.
What is the molecular formula of 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine?
The molecular formula of 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine is C8H11N5O3S.
What is the molecular weight of 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine?
The molecular weight of 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine is 257.05826 g/mol.
Where can I buy 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine?
You can request a quote for 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine?
Yes, CoreyChem provides custom synthesis services for 4-aminobenzenesulfonic acid, 1H-1,2,4-triazole-5-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.