5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile
TL;DR: 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile (CAS 1030315-96-8) is a chemical compound with molecular formula C9H7N3S2 and molecular weight 221.00813 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile
Also Known As: 5-(Methylthio)-3-(2-Thienyl)-1H-Pyrazole-4-Carbonitrile, 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile, 3-methylsulfanyl-5-thiophen-2-yl-1H-pyrazole-4-carbonitrile, 5-(methylsulfanyl)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C9H7N3S2 |
| Molecular Weight | 221.00813 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.00813 Da |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
| SMILES | CSC1=NNC(=C1C#N)C2=CC=CS2 |
| InChIKey | JRWIICVCNYVQNK-UHFFFAOYSA-N |
Chemical Property Profile of 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile
Property Insights of 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile 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 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The CAS number of 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile is 1030315-96-8.
What is the molecular formula of 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The molecular formula of 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile is C9H7N3S2.
What is the molecular weight of 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile?
The molecular weight of 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile is 221.00813 g/mol.
Where can I buy 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile?
You can request a quote for 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-(Methylthio)-3-(thiophen-2-yl)-1H-pyrazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.