6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
TL;DR: 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile (CAS 1001519-34-1) is a chemical compound with molecular formula C12H10F2N4S and molecular weight 280.05942 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile, 6-Difluoromethyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercapto-nicotinonitrile, 6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-2-sulfanylidene-1H-pyridine-3-carbonitrile, 6-(difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-sulfanylpyridine-3-carbonitrile, 6-(DIFLUOROMETHYL)-4-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-2-SULFANYL-3-PYRIDYL CYANIDE
Technical Specifications
| Molecular Formula | C12H10F2N4S |
| Molecular Weight | 280.05942 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.05942 Da |
| Heavy Atoms | 19 |
| Complexity | 517.0 |
| SMILES | CC1=NN(C=C1C2=C(C(=S)NC(=C2)C(F)F)C#N)C |
| InChIKey | PAFXMCFOCKTFDG-UHFFFAOYSA-N |
Chemical Property Profile of 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
Property Insights of 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile. Following Lipinski's Rule of Five, 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
The CAS number of 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile is 1001519-34-1.
What is the molecular formula of 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
The molecular formula of 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile is C12H10F2N4S.
What is the molecular weight of 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
The molecular weight of 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile is 280.05942 g/mol.
Where can I buy 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
You can request a quote for 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile?
Yes, CoreyChem provides custom synthesis services for 6-(Difluoromethyl)-4-(1,3-dimethyl-1H-pyrazol-4-yl)-2-mercaptonicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.