5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide
TL;DR: 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide (CAS 104728-82-7) is a chemical compound with molecular formula C7H13N3OS and molecular weight 187.07793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide
Also Known As: 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide, 5-Hydroxy-N,3,5-trimethyl-4,5-dihydro-1H-pyrazole-1-carbothioamide, 1H-Pyrazole-1-carbothioamide,4,5-dihydro-5-hydroxy-N,3,5-trimethyl-(9CI), 1H-Pyrazole-1-carbothioamide, 4,5-dihydro-5-hydroxy-N,3,5-trimethyl- (9CI)
Technical Specifications
| Molecular Formula | C7H13N3OS |
| Molecular Weight | 187.07793 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.07793 Da |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
| SMILES | CC1=NN(C(C1)(C)O)C(=S)NC |
| InChIKey | IFVMMYNRKZEABK-UHFFFAOYSA-N |
Chemical Property Profile of 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide
Property Insights of 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide. Following Lipinski's Rule of Five, 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide has 2 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-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide?
The CAS number of 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide is 104728-82-7.
What is the molecular formula of 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide?
The molecular formula of 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide is C7H13N3OS.
What is the molecular weight of 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide?
The molecular weight of 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide is 187.07793 g/mol.
Where can I buy 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide?
You can request a quote for 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 5-hydroxy-N,3,5-trimethyl-4H-pyrazole-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.