Thiobenzoic Acid S-[2-(Benzoylamino)Phenyl] Ester
[CAS# 1047-61-6]

Identification

• Name: Thiobenzoic Acid S-[2-(Benzoylamino)Phenyl] Ester
• Synonyms: Benzenecarbothioic Acid S-[2-[(Oxo-Phenylmethyl)Amino]Phenyl] Ester; Thiobenzoic Acid S-[2-(Benzoylamino)Phenyl] Ester; S-[2-(Phenylcarbonylamino)Phenyl] Benzenecarbothioate
• Molecular Formula: C₂₀H₁₅NO₂S
• Molecular Weight: 333.40
• CAS Registry Number: 1047-61-6
• SMILES: C2=C(NC(=O)C1=CC=CC=C1)C(=CC=C2)SC(=O)C3=CC=CC=C3
• InChI: 1S/C20H15NO2S/c22-19(15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)24-20(23)16-11-5-2-6-12-16/h1-14H,(H,21,22)
• InChIKey: SPSSXOLIURQSMF-UHFFFAOYSA-N

Properties

• Density: 1.293g/cm³ (Cal.)
• Melting point: 152°C (Expl.)
• Boiling point: 410.534°C at 760 mmHg (Cal.)
• Flash point: 202.084°C (Cal.)