4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione
TL;DR: 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione (CAS 21111-52-4) is a chemical compound with molecular formula C4H8N4S and molecular weight 144.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(methylamino)-1H-1,2,4-triazole-5-thione
Also Known As: 4-Methyl-5-methylamino-1,2,4-triazole-3-thione, 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione, 4-methyl-3-(methylamino)-1H-1,2,4-triazole-5-thione, 1H-1,2,4-Triazole-5(4H)-thione, 4-methyl-3-methylamino-, 4-Methyl-5-(methylamino)-2,4-dihydro-3H-1,2,4-triazole-3-thione #
| Molecular Formula | C4H8N4S |
|---|---|
| Molecular Weight | 144.05 g/mol |
| LogP | 0.51939 |
| Topological Polar Surface Area | 45.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.04697 |
| Heavy Atoms | 9 |
| Complexity | 247.31548 |
Chemical Identifiers
| CAS Number | 21111-52-4 |
|---|---|
| SMILES | CNC1=NNC(=S)N1C |
Product Overview
4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione (CAS 21111-52-4), with molecular formula C4H8N4S and molecular weight 144.05 g/mol. IUPAC: 4-methyl-3-(methylamino)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione
Property Insights of 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione
The XLogP value of 0.51939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione. With a topological polar surface area (TPSA) of 45.64 Ų, 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-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 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione?
The CAS number of 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione is 21111-52-4.
What is the molecular formula of 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione?
The molecular formula of 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione is C4H8N4S.
What is the molecular weight of 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione?
The molecular weight of 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione is 144.05 g/mol.
Where can I buy 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione?
You can request a quote for 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-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-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(methylamino)-1H-1,2,4-triazole-5(4H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.