1-(4-Nitrobenzoyl)-3-Phenylthiourea
[CAS# 56437-98-0]

Identification

• Name: 1-(4-Nitrobenzoyl)-3-Phenylthiourea
• Synonyms: 4-Nitro-N-[(Phenylamino)-Thioxomethyl]Benzamide; 4-Nitro-N-(Phenylthiocarbamoyl)Benzamide; N-(4-Nitrobenzoyl)-N'-Phenylthiourea
• Molecular Formula: C₁₄H₁₁N₃O₃S
• Molecular Weight: 301.32
• CAS Registry Number: 56437-98-0
• SMILES: C1=CC(=CC=C1[N+]([O-])=O)C(NC(NC2=CC=CC=C2)=S)=O
• InChI: 1S/C14H11N3O3S/c18-13(10-6-8-12(9-7-10)17(19)20)16-14(21)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,18,21)
• InChIKey: CLUCQDRQMGVTGD-UHFFFAOYSA-N

Properties

• Density: 1.432g/cm³ (Cal.)

References

• (1): A. Saeed and M. Bolte. 1-(4-Nitrobenzoyl)-3-phenylthiourea, Acta Cryst. (2007). E63, o3553