Butyrylthiocholine

Base Information

• Chemical Name: Butyrylthiocholine
• CAS No.: 4555-00-4
• Molecular Formula: C9H20 N O S
• Molecular Weight: 0
• Hs Code.: 2930909090
• UNII: K8D83KI04M
• DSSTox Substance ID: DTXSID00196553
• Nikkaji Number: J221.541A
• Wikidata: Q27095072
• Metabolomics Workbench ID: 148716
• ChEMBL ID: CHEMBL139908
• Mol file: 4555-00-4.mol

Synonyms:(2-Mercaptoethyl)Trimethylammonium Butyrate;Butyrylthiocholine;Iodide, S-Butyrylthiocholine;S Butyrylthiocholine Iodide;S-Butyrylthiocholine Iodide

Chemical Property of Butyrylthiocholine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 42.37000
• Density: g/cm³
• LogP: 1.75250
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 190.12656044
• Heavy Atom Count: 12
• Complexity: 140

Purity/Quality:

BUTYRYLTHIOCHOLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC(=O)SCC[N+](C)(C)C