![4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol structure](/static/products/100/1001567-70-9.png)
4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
TL;DR: 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol (CAS 1001567-70-9) is a chemical compound with molecular formula C8H11N5S and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[(3-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol, 4-Methyl-5-((3-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol, 4-methyl-3-[(3-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione, 4-Methyl-5-(3-methyl-pyrazol-1-ylmethyl)-4H-[1,2,4]triazole-3-thiol, 4-methyl-5-[(3-methylpyrazolyl)methyl]-1,2,4-triazole-3-thiol
| Molecular Formula | C8H11N5S |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.03091 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.07352 |
| Heavy Atoms | 14 |
| Complexity | 491.79987 |
Chemical Identifiers
| CAS Number | 1001567-70-9 |
|---|---|
| SMILES | CC1=NN(C=C1)CC2=NNC(=S)N2C |
Product Overview
4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol (CAS 1001567-70-9), with molecular formula C8H11N5S and molecular weight 209.07 g/mol. IUPAC: 4-methyl-3-[(3-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Property Insights of 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
The XLogP value of 1.03091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 51.43 Ų, 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)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
Frequently Asked Questions
What is the CAS number of 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol is 1001567-70-9.
What is the molecular formula of 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol is C8H11N5S.
What is the molecular weight of 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol is 209.07 g/mol.
Where can I buy 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-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 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.