[[(E)-4-oxo-4-phenylbut-2-enoyl]amino]thiourea

Base Information

• Chemical Name: [[(E)-4-oxo-4-phenylbut-2-enoyl]amino]thiourea
• CAS No.: 18507-29-4
• Molecular Formula: C11H11 N3 O2 S
• Molecular Weight: 0
• Wikidata: Q76325439
• Mol file: 18507-29-4.mol

Synonyms:[[(E)-4-oxo-4-phenylbut-2-enoyl]amino]thiourea;18507-29-4;3-Benzoylacrylic acid 3-(thiosemicarbazone);Thiosemicarbazone of beta-benzoylacrylic acid;ACRYLIC ACID, 3-BENZOYL-, 3-(THIOSEMICARBAZONE);[[(E)-4-oxo-4-phenyl-but-2-enoyl]amino]thiourea

Chemical Property of [[(E)-4-oxo-4-phenylbut-2-enoyl]amino]thiourea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 124.34000
• Density: 1.329g/cm³
• LogP: 2.24180
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 249.05719778
• Heavy Atom Count: 17
• Complexity: 336

Purity/Quality:

99%min ^*data from raw suppliers

3-BENZOYLACRYLIC ACID 3-(THIOSEMICARBAZONE) 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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