2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol
TL;DR: 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol (CAS 96134-07-5) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol, 4-(2-hydroxyethyl)-3-phenyl-1H-1,2,4-triazole-5-thione, AF-615/30368036, 2-(3-mercapto-5-phenyl-4H-1,2,4-triazol-4-yl)ethanol, 4-(2-hydroxyethyl)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.59999 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 488.86865 |
Chemical Identifiers
| CAS Number | 96134-07-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=S)N2CCO |
Product Overview
2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol (CAS 96134-07-5), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 4-(2-hydroxyethyl)-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol
Property Insights of 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol
The XLogP value of 1.59999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol. With a topological polar surface area (TPSA) of 53.84 Ų, 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol has 2 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 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol?
The CAS number of 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol is 96134-07-5.
What is the molecular formula of 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol?
The molecular formula of 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol is C10H11N3OS.
What is the molecular weight of 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol?
The molecular weight of 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol is 221.06 g/mol.
Where can I buy 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol?
You can request a quote for 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-phenyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.