2H-triazole-4-thiolate
TL;DR: 2H-triazole-4-thiolate (CAS 59032-27-8) is a chemical compound with molecular formula C2H2N3S- and molecular weight 100.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-triazole-4-thiolate
Also Known As: 2H-triazole-4-thiolate, 1H-1,2,3-triazole-5-thiolate, Sodium 1,2,3-triazole-5-thiolate, AO-090/25092001
| Molecular Formula | C2H2N3S- |
|---|---|
| Molecular Weight | 100.00 g/mol |
| LogP | -0.2895 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 99.99694 |
| Heavy Atoms | 6 |
| Complexity | 112.353615 |
Chemical Identifiers
| CAS Number | 59032-27-8 |
|---|---|
| SMILES | C1=NNN=C1[S-] |
Product Overview
2H-triazole-4-thiolate (CAS 59032-27-8), with molecular formula C2H2N3S- and molecular weight 100.00 g/mol. IUPAC: 2H-triazole-4-thiolate.
Chemical Property Profile of 2H-triazole-4-thiolate
Property Insights of 2H-triazole-4-thiolate
The XLogP value of -0.2895 indicates that 2H-triazole-4-thiolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 41.57 Ų, 2H-triazole-4-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-triazole-4-thiolate has 1 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 2H-triazole-4-thiolate?
The CAS number of 2H-triazole-4-thiolate is 59032-27-8.
What is the molecular formula of 2H-triazole-4-thiolate?
The molecular formula of 2H-triazole-4-thiolate is C2H2N3S-.
What is the molecular weight of 2H-triazole-4-thiolate?
The molecular weight of 2H-triazole-4-thiolate is 100.00 g/mol.
Where can I buy 2H-triazole-4-thiolate?
You can request a quote for 2H-triazole-4-thiolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-triazole-4-thiolate?
Yes, KEHONG BIO provides custom synthesis services for 2H-triazole-4-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.