![4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione structure](/static/products/1005/1005701-74-5.webp)
4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione (CAS 1005701-74-5) is a chemical compound with molecular formula C22H26N8OS2 and molecular weight 482.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione, 4-(2,5-DIMETHYLPHENYL)-5-({[5-(1-METHYL-1H-PYRAZOL-3-YL)-4-(TETRAHYDRO-2-FURANYLMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}METHYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(2,5-dimethylphenyl)-5-({[5-(1-methyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C22H26N8OS2 |
|---|---|
| Molecular Weight | 482.17 g/mol |
| LogP | 4.01003 |
| Topological Polar Surface Area | 91.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.1671 |
| Heavy Atoms | 33 |
| Complexity | 1328.3671 |
Chemical Identifiers
| CAS Number | 1005701-74-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C(=NNC2=S)CSC3=NN=C(N3CC4CCCO4)C5=NN(C=C5)C |
Product Overview
4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione (CAS 1005701-74-5), with molecular formula C22H26N8OS2 and molecular weight 482.17 g/mol. IUPAC: 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.01003 indicates that 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 7 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-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione is 1005701-74-5.
What is the molecular formula of 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione is C22H26N8OS2.
What is the molecular weight of 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione is 482.17 g/mol.
Where can I buy 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-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-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethylphenyl)-3-[[5-(1-methylpyrazol-3-yl)-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.