4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
TL;DR: 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 588685-90-9) is a chemical compound with molecular formula C8H9N3S2 and molecular weight 211.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-(5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol, 4-methyl-5-(5-methylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol, 4-methyl-5-(5-methyl-3-thienyl)-4H-1,2,4-triazole-3-thiol, 4-methyl-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione, 4-METHYL-5- -4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C8H9N3S2 |
|---|---|
| Molecular Weight | 211.02 g/mol |
| LogP | 2.51461 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.02379 |
| Heavy Atoms | 13 |
| Complexity | 477.54065 |
Chemical Identifiers
| CAS Number | 588685-90-9 |
|---|---|
| SMILES | CC1=CC(=CS1)C2=NNC(=S)N2C |
Product Overview
4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 588685-90-9), with molecular formula C8H9N3S2 and molecular weight 211.02 g/mol. IUPAC: 4-methyl-3-(5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Property Insights of 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
The XLogP value of 2.51461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione. With a topological polar surface area (TPSA) of 33.61 Ų, 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione 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 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The CAS number of 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 588685-90-9.
What is the molecular formula of 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular formula of 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is C8H9N3S2.
What is the molecular weight of 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
The molecular weight of 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione is 211.02 g/mol.
Where can I buy 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
You can request a quote for 4-Methyl-5-(5-methylthiophen-3-yl)-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 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-(5-methylthiophen-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.