![4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/1251/125126-74-1.webp)
4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol (CAS 125126-74-1) is a chemical compound with molecular formula C9H12N4S and molecular weight 208.07826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol, 4-methyl-3-[(1-methylpyrrol-2-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-methyl-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazole-3-thiol, 1-(2,4-Difluoro-phenyl)-1H-pyrrole-2-carbaldehyde, F1923-0025
Technical Specifications
| Molecular Formula | C9H12N4S |
| Molecular Weight | 208.07826 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07826 Da |
| Heavy Atoms | 14 |
| Complexity | 276.0 |
| SMILES | CN1C=CC=C1CC2=NNC(=S)N2C |
| InChIKey | KPQVGQLSCPQVCU-UHFFFAOYSA-N |
Chemical Property Profile of 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol is 125126-74-1.
What is the molecular formula of 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol is C9H12N4S.
What is the molecular weight of 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol is 208.07826 g/mol.
Where can I buy 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)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 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.