1-Hexadecylthiophosphorylcholine

Base Information

• Chemical Name: 1-Hexadecylthiophosphorylcholine
• CAS No.: 943022-11-5
• Molecular Formula: C21H46NO3PS
• Molecular Weight: 423.6
• Mol file: 943022-11-5.mol

Synonyms:1-Hexadecylthiophosphorylcholine;943022-11-5;hexadecylsulfanyl-[2-(trimethylazaniumyl)ethoxy]phosphinate;Thiomiltefosine;thio-Miltefosine;1-hexadecyl-thio-phosphorylcholine;GNVIGESUZAZBPC-UHFFFAOYSA-N;HMS3650B21;Ethanaminium, 2-[[(hexadecylthio)hydroxyphosphinyl]oxy]-N,N,N-trimethyl-, inner salt

Chemical Property of 1-Hexadecylthiophosphorylcholine

Chemical Property:

• XLogP3: 7.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 20
• Exact Mass: 423.29360250
• Heavy Atom Count: 27
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

thio-Miltefosine ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCSP(=O)([O-])OCC[N+](C)(C)C
• Description: thio-Miltefosine is a sulfur-containing derivative of miltefosine .

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