S-2-((3-Phenoxypropyl)amino)ethyl thiosulfate

Base Information

• Chemical Name: S-2-((3-Phenoxypropyl)amino)ethyl thiosulfate
• CAS No.: 21224-68-0
• Molecular Formula: C11H17NO4S2
• Molecular Weight: 291.387
• DSSTox Substance ID: DTXSID00943625
• Nikkaji Number: J87.810C
• Wikidata: Q82920758
• Mol file: 21224-68-0.mol

Synonyms:21224-68-0;S-2-((3-Phenoxypropyl)amino)ethyl thiosulfate;BRN 2534914;2-(2-Phenoxypropyl)aminoethanethiol hydrogen sulfate (ester);s-{2-[(3-phenoxypropyl)amino]ethyl} hydrogen sulfurothioate;DTXSID00943625;2-((3-Phenoxypropyl)amino)ethanethiol hydrogen sulfate (ester);Ethanethiol, 2-(2-phenoxypropyl)amino-, hydrogen sulfate (ester);Ethanethiol, 2-(3-phenoxypropyl)amino-, hydrogen sulfate (ester)

Chemical Property of S-2-((3-Phenoxypropyl)amino)ethyl thiosulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 109.31000
• Density: 1.319g/cm³
• LogP: 3.05280
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 291.05990037
• Heavy Atom Count: 18
• Complexity: 297

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCCCNCCSS(=O)(=O)O