L-S-2,5-Diaminopentyl dihydrogen phophorothioate hydrate

Base Information

• Chemical Name: L-S-2,5-Diaminopentyl dihydrogen phophorothioate hydrate
• CAS No.: 70548-44-6
• Molecular Formula: C5H15N2O3PS
• Molecular Weight: 214.223
• DSSTox Substance ID: DTXSID60990771
• Wikidata: Q76155205
• ChEMBL ID: CHEMBL3247431

Synonyms:L-S-2,5-Diaminopentyl dihydrogen phophorothioate hydrate;70548-44-6;(S)-2,5-Diamino-1-pentanethiol dihydrogen phosphate (ester) hydrate;1-Pentanethiol, 2,5-diamino-, dihydrogen phosphate (ester), (S)-, hydrate;CHEMBL3247431;DTXSID60990771;LS-101772;S-(2,5-Diaminopentyl) dihydrogen phosphorothioate

Chemical Property of L-S-2,5-Diaminopentyl dihydrogen phophorothioate hydrate

Chemical Property:

• Vapor Pressure: 1.74E-09mmHg at 25°C
• Boiling Point: 453.5°Cat760mmHg
• Flash Point: 228°C
• Density: 1.41g/cm³
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 214.05410052
• Heavy Atom Count: 12
• Complexity: 163

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(CSP(=O)(O)O)N)CN
• Isomeric SMILES: C(C[C@@H](CSP(=O)(O)O)N)CN

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