Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-
TL;DR: Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo- (CAS 105466-97-5) is a chemical compound with molecular formula C5H4Cl2O3S and molecular weight 213.92583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(Z)-1,2-dichloroethenyl]sulfanyl-2-oxopropanoic acid
Also Known As: 3-[(1,2-Dichlorovinyl)thio]pyruvic acid, Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-, 3-[(1,2-dichloroethenyl)sulfanyl]-2-oxopropanoic acid, 3-[(Z)-1,2-dichloroethenyl]sulfanyl-2-oxo-propanoic Acid, 3-[(Z)-1,2-dichloroethenyl]sulfanyl-2-oxopropanoic acid
Technical Specifications
| Molecular Formula | C5H4Cl2O3S |
| Molecular Weight | 213.92583 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.92583 Da |
| Heavy Atoms | 11 |
| Complexity | 202.0 |
| SMILES | C(C(=O)C(=O)O)S/C(=C/Cl)/Cl |
| InChIKey | CZDLRHUPDOJMML-DAFODLJHSA-N |
Chemical Property Profile of Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-
Property Insights of Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-. Following Lipinski's Rule of Five, Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo- 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 Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-?
The CAS number of Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo- is 105466-97-5.
What is the molecular formula of Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-?
The molecular formula of Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo- is C5H4Cl2O3S.
What is the molecular weight of Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-?
The molecular weight of Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo- is 213.92583 g/mol.
Where can I buy Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-?
You can request a quote for Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo-?
Yes, CoreyChem provides custom synthesis services for Propanoic acid, 3-((1,2-dichloroethenyl)thio)-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.