S-(3-Aminopropyl) dihydrogen phosphorothioate

Base Information

• Chemical Name: S-(3-Aminopropyl) dihydrogen phosphorothioate
• CAS No.: 63717-20-4
• Molecular Formula: C3H10NO3PS
• Molecular Weight: 171.1552
• DSSTox Substance ID: DTXSID50980146
• Nikkaji Number: J96.898F
• Wikidata: Q82966021
• Mol file: 63717-20-4.mol

Synonyms:S-(3-Aminopropyl) dihydrogen phosphorothioate;BRN 2078228;Phosphorothioic acid, S-(3-aminopropyl) ester;Phosphorothioic acid, S-ester with 3-aminopropanethiol;Propanethiol, 3-amino-, dihydrogen phosphate (ester);SCHEMBL5059556;DTXSID50980146

Chemical Property of S-(3-Aminopropyl) dihydrogen phosphorothioate

Chemical Property:

• Vapor Pressure: 8.76E-07mmHg at 25°C
• Boiling Point: 378.8°Cat760mmHg
• PKA: 1.31±0.10(Predicted)
• Flash Point: 182.9°C
• PSA: 118.66000
• Density: 1.49g/cm³
• LogP: 0.86140
• XLogP3: -4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 171.01190135
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)CSP(=O)(O)O

Technology Process of S-(3-Aminopropyl) dihydrogen phosphorothioate

There total 1 articles about S-(3-Aminopropyl) dihydrogen phosphorothioate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-bromopropylamine hydrochloride (5003-71-4) → Thiophosphorsaeure-S-(3-amino-propylester) (63717-20-4)

Guidance literature:

With lithium thiophosphate powder;

upstream raw materials:

3-bromopropylamine hydrochloride

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