Phenyl N-hydroxy-2-oxobutanimidothioate
TL;DR: Phenyl N-hydroxy-2-oxobutanimidothioate (CAS 110097-28-4) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenyl (1Z)-N-hydroxy-2-oxobutanimidothioate
Also Known As: Phenyl N-hydroxy-2-oxobutanimidothioate, Butanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-, 1-(N-hydroxy-C-phenylsulfanyl-carbonimidoyl)propan-1-one
Technical Specifications
| Molecular Formula | C10H11NO2S |
| Molecular Weight | 209.05106 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.05106 Da |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
| SMILES | CCC(=O)/C(=N/O)/SC1=CC=CC=C1 |
| InChIKey | APMPVWVEJKNQSG-KHPPLWFESA-N |
Chemical Property Profile of Phenyl N-hydroxy-2-oxobutanimidothioate
Property Insights of Phenyl N-hydroxy-2-oxobutanimidothioate
The XLogP value of 3.4 indicates that Phenyl N-hydroxy-2-oxobutanimidothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl N-hydroxy-2-oxobutanimidothioate. Following Lipinski's Rule of Five, Phenyl N-hydroxy-2-oxobutanimidothioate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Phenyl N-hydroxy-2-oxobutanimidothioate?
The CAS number of Phenyl N-hydroxy-2-oxobutanimidothioate is 110097-28-4.
What is the molecular formula of Phenyl N-hydroxy-2-oxobutanimidothioate?
The molecular formula of Phenyl N-hydroxy-2-oxobutanimidothioate is C10H11NO2S.
What is the molecular weight of Phenyl N-hydroxy-2-oxobutanimidothioate?
The molecular weight of Phenyl N-hydroxy-2-oxobutanimidothioate is 209.05106 g/mol.
Where can I buy Phenyl N-hydroxy-2-oxobutanimidothioate?
You can request a quote for Phenyl N-hydroxy-2-oxobutanimidothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenyl N-hydroxy-2-oxobutanimidothioate?
Yes, CoreyChem provides custom synthesis services for Phenyl N-hydroxy-2-oxobutanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.