3-Mercapto-1,2,4-triazole
TL;DR: 3-Mercapto-1,2,4-triazole (CAS 61788-69-0) is a chemical compound with molecular formula C2H3N3S and molecular weight 101.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 1H-1,2,4-Triazole-3-thiol, 3-Mercapto-1,2,4-triazole, Mercaptotriazole, S-Triazole-3-thiol, 1,2,4-Triazole-3-thiol
| Molecular Formula | C2H3N3S |
|---|---|
| Molecular Weight | 101.00 g/mol |
| LogP | 0.46729 |
| Topological Polar Surface Area | 44.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.00477 |
| Heavy Atoms | 6 |
| Complexity | 146.55606 |
Chemical Identifiers
| CAS Number | 61788-69-0 |
|---|---|
| SMILES | C1=NC(=S)NN1 |
Product Overview
3-Mercapto-1,2,4-triazole (CAS 61788-69-0), with molecular formula C2H3N3S and molecular weight 101.00 g/mol. IUPAC: 1,2-dihydro-1,2,4-triazole-3-thione.
Chemical Property Profile of 3-Mercapto-1,2,4-triazole
Property Insights of 3-Mercapto-1,2,4-triazole
The XLogP value of 0.46729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Mercapto-1,2,4-triazole. With a topological polar surface area (TPSA) of 44.47 Ų, 3-Mercapto-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Mercapto-1,2,4-triazole has 2 hydrogen bond donor(s) and 2 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 3-Mercapto-1,2,4-triazole?
The CAS number of 3-Mercapto-1,2,4-triazole is 61788-69-0.
What is the molecular formula of 3-Mercapto-1,2,4-triazole?
The molecular formula of 3-Mercapto-1,2,4-triazole is C2H3N3S.
What is the molecular weight of 3-Mercapto-1,2,4-triazole?
The molecular weight of 3-Mercapto-1,2,4-triazole is 101.00 g/mol.
Where can I buy 3-Mercapto-1,2,4-triazole?
You can request a quote for 3-Mercapto-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Mercapto-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Mercapto-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.