S-2-(5-Aminopentylamino)ethylphosphorothioic acid monohydrate

Base Information

• Chemical Name: S-2-(5-Aminopentylamino)ethylphosphorothioic acid monohydrate
• CAS No.: 20724-76-9
• Molecular Formula: C7H19N2O3PS
• Molecular Weight: 242.2761
• UNII: YHM39I0MM3
• DSSTox Substance ID: DTXSID40942935
• Nikkaji Number: J23.874K
• Wikidata: Q82919930

Synonyms:Pentaphos;20724-76-9;WR 2823;WR-2823;YHM39I0MM3;AU 69115;2-((5-Aminopentyl)amino)ethanethiol dihydrogen phosphate (ester) monohydrate;S-2-(5-Aminopentylamino)ethylphosphorothioic acid monohydrate;s-{2-[(5-aminopentyl)amino]ethyl} dihydrogen phosphorothioate;Ethanethiol, 2-((5-aminopentyl)amino)-, dihydrogen phosphate (ester), monohydrate;Ethanethiol, 2-[(5-aminopentyl)amino]-, 1-(dihydrogen phosphate);Phosphorothioic acid, S-(2-((5-aminopentyl)amino)ethyl) ester monohydrate;ETHANETHIOL, 2-((5-AMINOPENTYL)AMINO)-, 1-(DIHYDROGEN PHOSPHATE);S-(2-((5-AMINOPENTYL)AMINO)ETHYL) DIHYDROGEN PHOSPHOROTHIOATE;UNII-YHM39I0MM3;C7H19N2O3PS.H2O;SCHEMBL789557;DTXSID40942935;LS-65768;S-(2-((5-AMINOPENTYL)AMINO)ETHYL) PHOSPHOROTHIOATE

Chemical Property of S-2-(5-Aminopentylamino)ethylphosphorothioic acid monohydrate

Chemical Property:

• Vapor Pressure: 2.74E-09mmHg at 25°C
• Boiling Point: 448.3°C at 760 mmHg
• Flash Point: 224.9°C
• Density: 1.277g/cm³
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 242.08540064
• Heavy Atom Count: 14
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCN)CCNCCSP(=O)(O)O

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