3-Benzoylpropionic acid 3-(thiosemicarbazone)

Base Information

• Chemical Name: 3-Benzoylpropionic acid 3-(thiosemicarbazone)
• CAS No.: 18507-28-3
• Molecular Formula: C11H13N3O2S
• Molecular Weight: 251.3048

Synonyms:3-Benzoylpropionic acid 3-(thiosemicarbazone);BRN 3342825;Thiosemicarbazone of beta-benzoylpropionic acid;Propionic acid, 3-benzoyl-, 3-(thiosemicarbazone);4-10-00-02772 (Beilstein Handbook Reference);18507-28-3;LS-124505

Chemical Property of 3-Benzoylpropionic acid 3-(thiosemicarbazone)

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 459°Cat760mmHg
• PKA: 3.92±0.10(Predicted)
• Flash Point: 231.4°C
• PSA: 124.34000
• Density: 1.31g/cm³
• LogP: 2.20030
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 251.07284784
• Heavy Atom Count: 17
• Complexity: 312

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NNC(=S)N)CCC(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C(=N/NC(=S)N)/CCC(=O)O

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