1H-1,2,3-Triazole-4-thiol
TL;DR: 1H-1,2,3-Triazole-4-thiol (CAS 6440-06-8) 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-dihydrotriazole-5-thione
Also Known As: 1H-1,2,3-triazole-5-thiol, Mercaptotriazole, 1,2-dihydrotriazole-5-thione, 1H-1,2,3-Triazole-4-thiol, 5-mercapto-1,2,3-triazole
| 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 | 6440-06-8 |
|---|---|
| SMILES | C1=NNNC1=S |
Product Overview
1H-1,2,3-Triazole-4-thiol (CAS 6440-06-8), with molecular formula C2H3N3S and molecular weight 101.00 g/mol. IUPAC: 1,2-dihydrotriazole-5-thione.
Chemical Property Profile of 1H-1,2,3-Triazole-4-thiol
Property Insights of 1H-1,2,3-Triazole-4-thiol
The XLogP value of 0.46729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,3-Triazole-4-thiol. With a topological polar surface area (TPSA) of 44.47 Ų, 1H-1,2,3-Triazole-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,3-Triazole-4-thiol 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 1H-1,2,3-Triazole-4-thiol?
The CAS number of 1H-1,2,3-Triazole-4-thiol is 6440-06-8.
What is the molecular formula of 1H-1,2,3-Triazole-4-thiol?
The molecular formula of 1H-1,2,3-Triazole-4-thiol is C2H3N3S.
What is the molecular weight of 1H-1,2,3-Triazole-4-thiol?
The molecular weight of 1H-1,2,3-Triazole-4-thiol is 101.00 g/mol.
Where can I buy 1H-1,2,3-Triazole-4-thiol?
You can request a quote for 1H-1,2,3-Triazole-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,3-Triazole-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,3-Triazole-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.