Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-
TL;DR: Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- (CAS 110097-29-5) is a chemical compound with molecular formula C9H9NO2S and molecular weight 195.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl (1Z)-N-hydroxy-2-oxopropanimidothioate
Also Known As: Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-, 1-(N-hydroxy-C-phenylsulfanyl-carbonimidoyl)ethanone
| Molecular Formula | C9H9NO2S |
|---|---|
| Molecular Weight | 195.04 g/mol |
| LogP | 2.1554 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.0354 |
| Heavy Atoms | 13 |
| Complexity | 321.6464 |
Chemical Identifiers
| CAS Number | 110097-29-5 |
|---|---|
| SMILES | CC(=O)/C(=N/O)/SC1=CC=CC=C1 |
Product Overview
Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- (CAS 110097-29-5), with molecular formula C9H9NO2S and molecular weight 195.04 g/mol. IUPAC: phenyl (1Z)-N-hydroxy-2-oxopropanimidothioate.
Chemical Property Profile of Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-
Property Insights of Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-
The XLogP value of 2.1554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-. With a topological polar surface area (TPSA) of 49.66 Ų, Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- 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
Frequently Asked Questions
What is the CAS number of Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-?
The CAS number of Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- is 110097-29-5.
What is the molecular formula of Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-?
The molecular formula of Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- is C9H9NO2S.
What is the molecular weight of Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-?
The molecular weight of Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- is 195.04 g/mol.
Where can I buy Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-?
You can request a quote for Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)-?
Yes, KEHONG BIO provides custom synthesis services for Propanimidothioic acid, N-hydroxy-2-oxo-, phenyl ester, (Z)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.