S-2-((5-Cyclohexylpentyl)amino)ethyl thiosulfate

Base Information

• Chemical Name: S-2-((5-Cyclohexylpentyl)amino)ethyl thiosulfate
• CAS No.: 21209-03-0
• Molecular Formula: C13H27 N O3 S2
• Molecular Weight: 309.49
• NSC Number: 89074
• DSSTox Substance ID: DTXSID70175436
• Nikkaji Number: J77.521E
• Wikidata: Q83045777
• ChEMBL ID: CHEMBL2006037
• Mol file: 21209-03-0.mol

Synonyms:21209-03-0;Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester);Thiosulfuric acid (H2S2O3), -(2-((5-cyclohexylpentyl)amino)ethyl) ester;S-2-((5-Cyclohexylpentyl)amino)ethyl thiosulfate;Thiosulfuric acid (H2S2O3), -[2-[(5-cyclohexylpentyl)amino]ethyl] ester;NSC89074;NSC 89074;CHEMBL2006037;DTXSID70175436;2-((5-Cyclohexylpentyl)amino)ethanethiol hydrogen sulfate (ester);NSC-89074;NCI60_041978

Chemical Property of S-2-((5-Cyclohexylpentyl)amino)ethyl thiosulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 100.08000
• Density: 1.155g/cm³
• LogP: 4.72440
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 309.14323607
• Heavy Atom Count: 19
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CCCCCNCCSS(=O)(=O)O

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