4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione (CAS 1005675-50-2) is a chemical compound with molecular formula C12H13N5OS and molecular weight 275.08408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione, 4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-(2-methylfuran-3-yl)-4H-1,2,4-triazole-3-thiol, 4-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-3-furyl)-2H-1,2,4-triazole-3-thione, 4-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-5-(2-METHYL-3-FURYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
Technical Specifications
| Molecular Formula | C12H13N5OS |
| Molecular Weight | 275.08408 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.08408 Da |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
| SMILES | CC1=C(C=CO1)C2=NNC(=S)N2C3=CN(N=C3C)C |
| InChIKey | FVBHIIRWZZQJSB-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-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
What is the CAS number of 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione is 1005675-50-2.
What is the molecular formula of 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione is C12H13N5OS.
What is the molecular weight of 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione is 275.08408 g/mol.
Where can I buy 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 4-(1,3-dimethylpyrazol-4-yl)-3-(2-methylfuran-3-yl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.