4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CAS 494790-54-4) is a chemical compound with molecular formula C14H14ClN5S and molecular weight 319.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione, 4-benzyl-5-(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-benzyl-5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-2H-1,2,4-triazole-3-thione, 4-BENZYL-5-(4-CHLORO-1,3-DIMETHYL-1H-PYRAZOL-5-YL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C14H14ClN5S |
|---|---|
| Molecular Weight | 319.07 g/mol |
| LogP | 3.35131 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.06586 |
| Heavy Atoms | 21 |
| Complexity | 830.91907 |
Chemical Identifiers
| CAS Number | 494790-54-4 |
|---|---|
| SMILES | CC1=NN(C(=C1Cl)C2=NNC(=S)N2CC3=CC=CC=C3)C |
Product Overview
4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione (CAS 494790-54-4), with molecular formula C14H14ClN5S and molecular weight 319.07 g/mol. IUPAC: 4-benzyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.35131 indicates that 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.43 Ų, 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-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-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione is 494790-54-4.
What is the molecular formula of 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione is C14H14ClN5S.
What is the molecular weight of 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione is 319.07 g/mol.
Where can I buy 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-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 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-3-(4-chloro-2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.