![3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005696-43-4.webp)
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione (CAS 1005696-43-4) is a chemical compound with molecular formula C14H18ClN7S and molecular weight 351.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione, 5-[(4-CHLORO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-4-(1-ETHYL-5-METHYL-1H-PYRAZOL-4-YL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C14H18ClN7S |
|---|---|
| Molecular Weight | 351.10 g/mol |
| LogP | 2.96975 |
| Topological Polar Surface Area | 69.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.1033 |
| Heavy Atoms | 23 |
| Complexity | 914.33746 |
Chemical Identifiers
| CAS Number | 1005696-43-4 |
|---|---|
| SMILES | CCN1C(=C(C=N1)N2C(=NNC2=S)CN3C(=C(C(=N3)C)Cl)C)C |
Product Overview
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione (CAS 1005696-43-4), with molecular formula C14H18ClN7S and molecular weight 351.10 g/mol. IUPAC: 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 2.96975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione. The TPSA of 69.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 4 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 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is 1005696-43-4.
What is the molecular formula of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is C14H18ClN7S.
What is the molecular weight of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione is 351.10 g/mol.
Where can I buy 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.