5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde
TL;DR: 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde (CAS 117953-14-7) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde
Also Known As: 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde, 1-phenyl-3-methyl-4-formylpyrazole-5-thiol, 3-methyl-1-phenyl-5-sulfanyl-1H-pyrazole-4-carbaldehyde, 3-methyl-1-phenyl-5-sulfanylpyrazole-4-carbaldehyde, 5-Mercapto-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
Technical Specifications
| Molecular Formula | C11H10N2OS |
| Molecular Weight | 218.05139 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05139 Da |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
| SMILES | CC1=C(C(=S)N(N1)C2=CC=CC=C2)C=O |
| InChIKey | JLLWHWZULBAOQY-UHFFFAOYSA-N |
Chemical Property Profile of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde
Property Insights of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde. Following Lipinski's Rule of Five, 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde 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
What is the CAS number of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde?
The CAS number of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde is 117953-14-7.
What is the molecular formula of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde?
The molecular formula of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde is C11H10N2OS.
What is the molecular weight of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde?
The molecular weight of 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde is 218.05139 g/mol.
Where can I buy 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde?
You can request a quote for 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde?
Yes, CoreyChem provides custom synthesis services for 5-methyl-2-phenyl-3-sulfanylidene-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.