5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 113657-01-5) is a chemical compound with molecular formula C5H9N3OS and molecular weight 159.04663 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(methoxymethyl)-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 3-(methoxymethyl)-4-methyl-1H-1,2,4-triazole-5-thione, 5-(Methoxymethyl)-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(methoxymethyl)-4-methyl-2H-1,2,4-triazole-3-thione, 5-(methoxymethyl)-4-methyl-1,2,4-triazole-3-thiol
Technical Specifications
| Molecular Formula | C5H9N3OS |
| Molecular Weight | 159.04663 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.04663 Da |
| Heavy Atoms | 10 |
| Complexity | 180.0 |
| SMILES | CN1C(=NNC1=S)COC |
| InChIKey | JZKOYGFGRZXZCO-UHFFFAOYSA-N |
Chemical Property Profile of 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of -0.1 indicates that 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(methoxymethyl)-4-methyl-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
What is the CAS number of 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 113657-01-5.
What is the molecular formula of 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol is C5H9N3OS.
What is the molecular weight of 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 159.04663 g/mol.
Where can I buy 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-(methoxymethyl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.