4-[(1E,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-(2-methylcyclopropyl)-4,5-dihydro-1,3-thiazole

Base Information

• Chemical Name: 4-[(1E,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-(2-methylcyclopropyl)-4,5-dihydro-1,3-thiazole
• CAS No.: 164454-36-8
• Molecular Formula: C22H33 N O S
• Molecular Weight: 359.5685
• DSSTox Substance ID: DTXSID501334423
• Mol file: 164454-36-8.mol

Synonyms:curacin D

Chemical Property of 4-[(1E,5E,7E,11R)-11-methoxytetradeca-1,5,7,13-tetraenyl]-2-(2-methylcyclopropyl)-4,5-dihydro-1,3-thiazole

Chemical Property:

• Vapor Pressure: 3.41E-08mmHg at 25°C
• Boiling Point: 459.6°Cat760mmHg
• Flash Point: 231.8°C
• PSA: 46.89000
• Density: 1.01g/cm³
• LogP: 5.41200
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 359.22828585
• Heavy Atom Count: 25
• Complexity: 520

Purity/Quality:

99% ^*data from raw suppliers

CURACIN D 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC1C2=NC(CS2)C=CCCC=CC=CCCC(CC=C)OC
• Isomeric SMILES: CC1CC1C2=NC(CS2)/C=C/CC/C=C/C=C/CC[C@H](CC=C)OC