5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide
TL;DR: 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide (CAS 24620-95-9) is a chemical compound with molecular formula C11H13N3OS and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide
Also Known As: 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide
| Molecular Formula | C11H13N3OS |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.5088 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.07793 |
| Heavy Atoms | 16 |
| Complexity | 406.95053 |
Chemical Identifiers
| CAS Number | 24620-95-9 |
|---|---|
| SMILES | CC1CC(=O)NN1C(=S)NC2=CC=CC=C2 |
Product Overview
5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide (CAS 24620-95-9), with molecular formula C11H13N3OS and molecular weight 235.08 g/mol. IUPAC: 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide.
Chemical Property Profile of 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide
Property Insights of 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide
The XLogP value of 1.5088 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide. With a topological polar surface area (TPSA) of 44.37 Ų, 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide?
The CAS number of 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide is 24620-95-9.
What is the molecular formula of 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide?
The molecular formula of 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide is C11H13N3OS.
What is the molecular weight of 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide?
The molecular weight of 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide is 235.08 g/mol.
Where can I buy 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide?
You can request a quote for 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-3-oxo-N-phenylpyrazolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.