Ethanethiol, 2-((2,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)

Base Information

• Chemical Name: Ethanethiol, 2-((2,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)
• CAS No.: 64192-81-0
• Molecular Formula: C5H16 N3 O3 P S
• Molecular Weight: 229.2376
• DSSTox Substance ID: DTXSID00982736

Synonyms:64192-81-0;Ethanethiol, 2-((2,3-diaminopropyl)amino)-, dihydrogen phosphate (ester);DTXSID00982736;S-{2-[(2,3-Diaminopropyl)amino]ethyl} dihydrogen phosphorothioate

Chemical Property of Ethanethiol, 2-((2,3-diaminopropyl)amino)-, dihydrogen phosphate (ester)

Chemical Property:

• Vapor Pressure: 3.51E-11mmHg at 25°C
• Boiling Point: 495.8°Cat760mmHg
• PKA: 1.28±0.10(Predicted)
• Flash Point: 253.6°C
• PSA: 156.71000
• Density: 1.426g/cm³
• LogP: 0.47940
• XLogP3: -5.7
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 229.06499955
• Heavy Atom Count: 13
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CSP(=O)(O)O)NCC(CN)N

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