3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
TL;DR: 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide (CAS 128922-11-2) is a chemical compound with molecular formula C10H11N3S and molecular weight 205.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-phenyl-3,4-dihydropyrazole-2-carbothioamide
Also Known As: 5-phenyl-3,4-dihydropyrazole-2-carbothioamide, 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, SDCCGMLS-0064500.P001, 3-phenyl-4,5-dihydropyrazole-1-carbothioamide, amino(3-phenyl(2-pyrazolinyl))methane-1-thione
Technical Specifications
| Molecular Formula | C10H11N3S |
| Molecular Weight | 205.06737 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 73.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.06737 Da |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
| SMILES | C1CN(N=C1C2=CC=CC=C2)C(=S)N |
| InChIKey | WYFNKSHKGSUPOR-UHFFFAOYSA-N |
Chemical Property Profile of 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
Property Insights of 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide. The TPSA of 73.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The CAS number of 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 128922-11-2.
What is the molecular formula of 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular formula of 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is C10H11N3S.
What is the molecular weight of 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
The molecular weight of 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide is 205.06737 g/mol.
Where can I buy 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
You can request a quote for 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 3-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.