3-oxo-N-phenylpyrazolidine-1-carbothioamide
TL;DR: 3-oxo-N-phenylpyrazolidine-1-carbothioamide (CAS 303994-79-8) is a chemical compound with molecular formula C10H11N3OS and molecular weight 221.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-phenylpyrazolidine-1-carbothioamide
Also Known As: 3-oxo-N-phenylpyrazolidine-1-carbothioamide, 3-oxo-N-phenyl-1-pyrazolidinecarbothioamide, 3-oxo-N-phenyl-pyrazolidine-1-carbothioamide, 12A-024
| Molecular Formula | C10H11N3OS |
|---|---|
| Molecular Weight | 221.06 g/mol |
| LogP | 1.1203 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.06229 |
| Heavy Atoms | 15 |
| Complexity | 379.5137 |
Chemical Identifiers
| CAS Number | 303994-79-8 |
|---|---|
| SMILES | C1CN(NC1=O)C(=S)NC2=CC=CC=C2 |
Product Overview
3-oxo-N-phenylpyrazolidine-1-carbothioamide (CAS 303994-79-8), with molecular formula C10H11N3OS and molecular weight 221.06 g/mol. IUPAC: 3-oxo-N-phenylpyrazolidine-1-carbothioamide.
Chemical Property Profile of 3-oxo-N-phenylpyrazolidine-1-carbothioamide
Property Insights of 3-oxo-N-phenylpyrazolidine-1-carbothioamide
The XLogP value of 1.1203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-oxo-N-phenylpyrazolidine-1-carbothioamide. With a topological polar surface area (TPSA) of 44.37 Ų, 3-oxo-N-phenylpyrazolidine-1-carbothioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 3-oxo-N-phenylpyrazolidine-1-carbothioamide?
The CAS number of 3-oxo-N-phenylpyrazolidine-1-carbothioamide is 303994-79-8.
What is the molecular formula of 3-oxo-N-phenylpyrazolidine-1-carbothioamide?
The molecular formula of 3-oxo-N-phenylpyrazolidine-1-carbothioamide is C10H11N3OS.
What is the molecular weight of 3-oxo-N-phenylpyrazolidine-1-carbothioamide?
The molecular weight of 3-oxo-N-phenylpyrazolidine-1-carbothioamide is 221.06 g/mol.
Where can I buy 3-oxo-N-phenylpyrazolidine-1-carbothioamide?
You can request a quote for 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 3-oxo-N-phenylpyrazolidine-1-carbothioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-oxo-N-phenylpyrazolidine-1-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.