4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol
TL;DR: 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol (CAS 27106-11-2) is a chemical compound with molecular formula C6H11N3OS and molecular weight 173.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Also Known As: 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol, 4-Bromo-2-chlorobenzothiazole, 4-butyl-5-sulfanyl-4H-1,2,4-triazol-3-ol, 4-butyl-5-sulfanylidene-1,2,4-triazolidin-3-one, 4-butyl-5-thioxo-[1,2,4]triazolidin-3-one
| Molecular Formula | C6H11N3OS |
|---|---|
| Molecular Weight | 173.06 g/mol |
| LogP | 1.03409 |
| Topological Polar Surface Area | 53.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 173.06229 |
| Heavy Atoms | 11 |
| Complexity | 293.55865 |
Chemical Identifiers
| CAS Number | 27106-11-2 |
|---|---|
| SMILES | CCCCN1C(=O)NNC1=S |
Product Overview
4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol (CAS 27106-11-2), with molecular formula C6H11N3OS and molecular weight 173.06 g/mol. IUPAC: 4-butyl-5-sulfanylidene-1,2,4-triazolidin-3-one.
Chemical Property Profile of 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol
Property Insights of 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol
The XLogP value of 1.03409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol. With a topological polar surface area (TPSA) of 53.58 Ų, 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol 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 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol?
The CAS number of 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol is 27106-11-2.
What is the molecular formula of 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol?
The molecular formula of 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol is C6H11N3OS.
What is the molecular weight of 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol?
The molecular weight of 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol is 173.06 g/mol.
Where can I buy 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol?
You can request a quote for 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-butyl-5-mercapto-4H-1,2,4-triazol-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.