1-Methyl-1-Phenyl-3-Benzoylthiourea
[CAS# 4949-94-4]

Identification

• Name: 1-Methyl-1-Phenyl-3-Benzoylthiourea
• Synonyms: N-(Methyl-Phenyl-Carbamothioyl)Benzamide; N-[(Methyl-Phenylamino)-Thioxomethyl]Benzamide; N-(Methyl-Phenyl-Thiocarbamoyl)Benzamide
• Molecular Formula: C₁₅H₁₄N₂OS
• Molecular Weight: 270.35
• CAS Registry Number: 4949-94-4
• SMILES: C1=CC=CC=C1C(NC(N(C2=CC=CC=C2)C)=S)=O
• InChI: 1S/C15H14N2OS/c1-17(13-10-6-3-7-11-13)15(19)16-14(18)12-8-4-2-5-9-12/h2-11H,1H3,(H,16,18,19)
• InChIKey: GAVQCLAJJBWOFG-UHFFFAOYSA-N

Properties

• Density: 1.245g/cm³ (Cal.)

References

• (1): S. Shanmuga Sundara Raj, K. Puviarasan, D. Velmurugan, G. Jayanthi, H.-K. Fun. N-HS hydrogen bonding in N-benzoyl-N'-methyl-N'-phenylthiourea and N-benzoyl-N'-(3,4-dimethylphenyl)thiourea, Acta Cryst C 1999 Volume 55 Part 8 Page 1318-1320