4-(3-Cinnamoyl-2-thioureido)benzoic acid

Base Information

• Chemical Name: 4-(3-Cinnamoyl-2-thioureido)benzoic acid
• CAS No.: 5772-92-9
• Molecular Formula: C₁₇H₁₄N₂O₃S
• Molecular Weight: 326.376
• European Community (EC) Number: 661-785-9
• NSC Number: 205965

Synonyms:NSC205965;4-(3-CINNAMOYL-2-THIOUREIDO)BENZOIC ACID;5772-92-9;AKOS000109362;NSC-205965;(e)-4-(3-cinnamoylthioureido) benzoic acid

Chemical Property of 4-(3-Cinnamoyl-2-thioureido)benzoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.393g/cm³
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 326.07251349
• Heavy Atom Count: 23
• Complexity: 465

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=CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)O

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