5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol (CAS 337498-86-9) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(methoxymethyl)-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol, 5-(methoxymethyl)-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol, 5-(methoxymethyl)-4-naphthyl-1,2,4-triazole-3-thiol, 3-(methoxymethyl)-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione, 4H-1,2,4-triazole-3-thiol, 5-(methoxymethyl)-4-(1-naphthalenyl)-
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 337498-86-9 |
|---|---|
| SMILES | COCC1=NNC(=S)N1C2=CC=CC3=CC=CC=C32 |
| InChIKey | LNGRSBPUJRCXGL-UHFFFAOYSA-N |
Product Overview
5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol (CAS 337498-86-9), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: 3-(methoxymethyl)-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol 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 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol is 337498-86-9.
What is the molecular formula of 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol is C14H13N3OS.
What is the molecular weight of 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol is 271.08 g/mol.
Where can I buy 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(methoxymethyl)-4-(1-naphthyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.