5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 312523-49-2) is a chemical compound with molecular formula C13H11N3OS and molecular weight 257.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-hydroxynaphthalen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(5-Mercapto-4-methyl-4H-1,2,4-triazol-3-yl)naphthalen-2-ol, 3-(3-Hydroxynaphthalen-2-yl)-4-methyl-1H-1,2,4-triazole-5(4H)-thione, 3-(3-hydroxynaphthalen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione, A1998/0083913
| Molecular Formula | C13H11N3OS |
|---|---|
| Molecular Weight | 257.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.0623 |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 312523-49-2 |
|---|---|
| SMILES | CN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2O |
| InChIKey | INDRBEGHEMXEBV-UHFFFAOYSA-N |
Product Overview
5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 312523-49-2), with molecular formula C13H11N3OS and molecular weight 257.06 g/mol. IUPAC: 3-(3-hydroxynaphthalen-2-yl)-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 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 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 312523-49-2.
What is the molecular formula of 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is C13H11N3OS.
What is the molecular weight of 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione is 257.06 g/mol.
Where can I buy 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-hydroxy-2-naphthyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.