7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one

Base Information

• Chemical Name: 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one
• CAS No.: 146674-62-6
• Molecular Formula: C29H31 N O3 S
• Molecular Weight: 473.6263
• DSSTox Substance ID: DTXSID90932881
• Mol file: 146674-62-6.mol

Synonyms:146674-62-6;DTXSID90932881;LS-153352;7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one;Thiopyrano(2,3-c)pyrrole, octahydro-4,4-diphenyl-6-(2-(2-methoxyphenyl)-1-oxopropyl)-, 1-oxide, (1-alpha,4a-alpha,6(R*),7a-alpha)-(-)-

Chemical Property of 7-Benzyl-2-[hydroxy(2-methoxyphenyl)methyl]-7-(phenylsulfanyl)octahydro-4H-isoindol-4-one

Chemical Property:

• Vapor Pressure: 2.18E-17mmHg at 25°C
• Boiling Point: 642.5°Cat760mmHg
• Flash Point: 342.4°C
• Density: 1.26g/cm³
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 473.20246502
• Heavy Atom Count: 34
• Complexity: 676

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1C(N2CC3C(C2)C(CCC3=O)(CC4=CC=CC=C4)SC5=CC=CC=C5)O