8-((2-Methoxy-3-(4-phenylpiperidin-1-yl)propyl)oxy)thiochroman fumarate

Base Information

• Chemical Name: 8-((2-Methoxy-3-(4-phenylpiperidin-1-yl)propyl)oxy)thiochroman fumarate
• CAS No.: 153804-60-5
• Molecular Formula: C28H35NO6S
• Molecular Weight: 513.6456
• Mol file: 153804-60-5.mol

Synonyms:153804-60-5;8-((2-Methoxy-3-(4-phenylpiperidin-1-yl)propyl)oxy)thiochroman fumarate;(E)-but-2-enedioic acid;1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methoxypropyl]-4-phenylpiperidine;Piperidine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methoxypropyl)-4-phenyl-, (E)-2-butenedioate (1:1);but-2-enedioic acid;LS-115020

Chemical Property of 8-((2-Methoxy-3-(4-phenylpiperidin-1-yl)propyl)oxy)thiochroman fumarate

Chemical Property:

• Vapor Pressure: 1.71E-12mmHg at 25°C
• Boiling Point: 558.2°Cat760mmHg
• Flash Point: 291.4°C
• PSA: 121.60000
• Density: g/cm³
• LogP: 4.64800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 513.21850901
• Heavy Atom Count: 36
• Complexity: 567

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CN1CCC(CC1)C2=CC=CC=C2)COC3=CC=CC4=C3SCCC4.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: COC(CN1CCC(CC1)C2=CC=CC=C2)COC3=CC=CC4=C3SCCC4.C(=C/C(=O)O)\C(=O)O