14-(R,S)-Tosyloxy-6-thiaheptadecanoic acid benzyl ester

Base Information

• Chemical Name: 14-(R,S)-Tosyloxy-6-thiaheptadecanoic acid benzyl ester
• CAS No.: 137564-70-6
• Molecular Formula: C30H44O5S2
• Molecular Weight: 548.8
• DSSTox Substance ID: DTXSID80567742
• Mol file: 137564-70-6.mol

Synonyms:137564-70-6;14-(R,S)-Tosyloxy-6-thiaheptadecanoic acid benzyl ester;benzyl 5-[8-(4-methylphenyl)sulfonyloxyundecylsulfanyl]pentanoate;benzyl-14-(r,s)-tosyloxy-6-thiaheptadecanoate;DTXSID80567742;Benzyl 5-({8-[(4-methylbenzene-1-sulfonyl)oxy]undecyl}sulfanyl)pentanoate

Chemical Property of 14-(R,S)-Tosyloxy-6-thiaheptadecanoic acid benzyl ester

Chemical Property:

• PSA: 103.35000
• LogP: 8.93730
• XLogP3: 8.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 21
• Exact Mass: 548.26301685
• Heavy Atom Count: 37
• Complexity: 677

Purity/Quality:

98% ^*data from raw suppliers

14-(R,S)-TOSYLOXY-6-THIAHEPTADECANOIC ACID BENZYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCCCCCCSCCCCC(=O)OCC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C