3-Phenylbenzothiazol-2(3H)-One
[CAS# 41631-62-3]

Identification

• Name: 3-Phenylbenzothiazol-2(3H)-One
• Synonyms: St5444332; Nsc158618
• Molecular Formula: C₁₃H₉NOS
• Molecular Weight: 227.28
• CAS Registry Number: 41631-62-3
• SMILES: C1=CC=CC3=C1N(C2=CC=CC=C2)C(=O)S3
• InChI: 1S/C13H9NOS/c15-13-14(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-13/h1-9H
• InChIKey: BHPSZHMGNYEULP-UHFFFAOYSA-N

Properties

• Density: 1.339g/cm³ (Cal.)
• Boiling point: 388.857°C at 760 mmHg (Cal.)
• Flash point: 188.974°C (Cal.)