N-(6-(Methylthio)quinolin-5-yl)-2-(hexylthio)decanoic acid amide

Base Information

• Chemical Name: N-(6-(Methylthio)quinolin-5-yl)-2-(hexylthio)decanoic acid amide
• CAS No.: 134991-85-8
• Molecular Formula: C26H40 N2 O S2
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID00159183
• Nikkaji Number: J589.009H
• Wikidata: Q83027505
• ChEMBL ID: CHEMBL25276
• Mol file: 134991-85-8.mol

Synonyms:CP 105,191;CP 105191;CP-105,191;CP-105191;N-(6-(methylthio)quinolin-5-yl)-2-(hexylthio)decanoic acid amide

Chemical Property of N-(6-(Methylthio)quinolin-5-yl)-2-(hexylthio)decanoic acid amide

Chemical Property:

• Vapor Pressure: 4.96E-15mmHg at 25°C
• Boiling Point: 614.4°C at 760 mmHg
• Flash Point: 325.4°C
• PSA: 96.08000
• Density: 1.08g/cm³
• LogP: 8.97740
• XLogP3: 8.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 16
• Exact Mass: 460.25820625
• Heavy Atom Count: 31
• Complexity: 476

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC(C(=O)NC1=C(C=CC2=C1C=CC=N2)SC)SCCCCCC
• Isomeric SMILES: CCCCCCCC[C@@H](C(=O)NC1=C(C=CC2=C1C=CC=N2)SC)SCCCCCC