3-(2-Carboxyethylthio)-3-(2-(8-phenyloctyl)phenyl)propanoic acid

Base Information

• Chemical Name: 3-(2-Carboxyethylthio)-3-(2-(8-phenyloctyl)phenyl)propanoic acid
• CAS No.: 129047-98-9
• Molecular Formula: C26H34 O4 S
• Molecular Weight: 442.6108
• DSSTox Substance ID: DTXSID30156044
• Wikidata: Q83024040
• Mol file: 129047-98-9.mol

Synonyms:3-(2-carboxyethylthio)-3-(2-(8-phenyloctyl)phenyl)propanoic acid;SK and F 106203;SK and F S-106203;SK and F-S-106203;SK and F-S106203;SKF 106203;SKF S106203;SKF-106203

Chemical Property of 3-(2-Carboxyethylthio)-3-(2-(8-phenyloctyl)phenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 5.33E-17mmHg at 25°C
• Boiling Point: 635.1°Cat760mmHg
• Flash Point: 337.9°C
• Density: 1.15g/cm³
• XLogP3: 6.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 442.21778074
• Heavy Atom Count: 31
• Complexity: 504

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC(=CC=C2)C(CC(=O)O)SCCC(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)CCCCCCCCC2=CC(=CC=C2)[C@H](CC(=O)O)SCCC(=O)O