4,5-diamino-4H-1,2,4-triazole-3-thiol
TL;DR: 4,5-diamino-4H-1,2,4-triazole-3-thiol (CAS 3529-50-8) is a chemical compound with molecular formula C2H5N5S and molecular weight 131.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diamino-1H-1,2,4-triazole-5-thione
Also Known As: 4,5-diamino-1,2,4-triazole-3-thiol, 4,5-diamino-4H-1,2,4-triazole-3-thiol, 3,4-diamino-1H-1,2,4-triazole-5-thione, 4-amino-5-imino-1,2,4-triazolidine-3-thione, 4,5-diamino-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C2H5N5S |
|---|---|
| Molecular Weight | 131.03 g/mol |
| LogP | -0.76331 |
| Topological Polar Surface Area | 85.65 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.02657 |
| Heavy Atoms | 8 |
| Complexity | 232.82187 |
Chemical Identifiers
| CAS Number | 3529-50-8 |
|---|---|
| SMILES | C1(=NNC(=S)N1N)N |
Product Overview
4,5-diamino-4H-1,2,4-triazole-3-thiol (CAS 3529-50-8), with molecular formula C2H5N5S and molecular weight 131.03 g/mol. IUPAC: 3,4-diamino-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4,5-diamino-4H-1,2,4-triazole-3-thiol
Property Insights of 4,5-diamino-4H-1,2,4-triazole-3-thiol
The XLogP value of -0.76331 indicates that 4,5-diamino-4H-1,2,4-triazole-3-thiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-diamino-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4,5-diamino-4H-1,2,4-triazole-3-thiol has 3 hydrogen bond donor(s) and 4 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 4,5-diamino-4H-1,2,4-triazole-3-thiol?
The CAS number of 4,5-diamino-4H-1,2,4-triazole-3-thiol is 3529-50-8.
What is the molecular formula of 4,5-diamino-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4,5-diamino-4H-1,2,4-triazole-3-thiol is C2H5N5S.
What is the molecular weight of 4,5-diamino-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4,5-diamino-4H-1,2,4-triazole-3-thiol is 131.03 g/mol.
Where can I buy 4,5-diamino-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4,5-diamino-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-diamino-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-diamino-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.