S-2-((2-Cyanoethyl)amino)propyl hydrogen thiosulfate

Base Information

• Chemical Name: S-2-((2-Cyanoethyl)amino)propyl hydrogen thiosulfate
• CAS No.: 23545-61-1
• Molecular Formula: C6H12 N2 O3 S2
• Molecular Weight: 224.3
• DSSTox Substance ID: DTXSID90946307
• Nikkaji Number: J50.929I
• Mol file: 23545-61-1.mol

Synonyms:23545-61-1;S-2-((2-Cyanoethyl)amino)propyl hydrogen thiosulfate;s-{2-[(2-cyanoethyl)amino]propyl} hydrogen sulfurothioate;Propanethiol, 2-((2-cyanoethyl)amino)-, hydrogen sulfate (ester);DTXSID90946307

Chemical Property of S-2-((2-Cyanoethyl)amino)propyl hydrogen thiosulfate

Chemical Property:

• PSA: 123.87000
• Density: 1.378g/cm³
• LogP: 1.88588
• XLogP3: -3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 224.02893460
• Heavy Atom Count: 13
• Complexity: 274

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CSS(=O)(=O)O)NCCC#N

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