3-Phenyl-1-(9-Thia-8-Azabicyclo[4.3.0]Nona-1,3,5,7-Tetraen-7-Yl)Urea
[CAS# 69504-36-5]

Identification

• Name: 3-Phenyl-1-(9-Thia-8-Azabicyclo[4.3.0]Nona-1,3,5,7-Tetraen-7-Yl)Urea
• Synonyms: 1-(1,2-Benzothiazol-3-Yl)-3-Phenyl-Urea; Urea, N-1,2-Benzisothiazol-3-Yl-N'-Phenyl-
• Molecular Formula: C₁₄H₁₁N₃OS
• Molecular Weight: 269.32
• CAS Registry Number: 69504-36-5
• SMILES: C1=CC=CC2=C1C(=NS2)NC(=O)NC3=CC=CC=C3
• InChI: 1S/C14H11N3OS/c18-14(15-10-6-2-1-3-7-10)16-13-11-8-4-5-9-12(11)19-17-13/h1-9H,(H2,15,16,17,18)
• InChIKey: CQJMBFUKIYSERD-UHFFFAOYSA-N

Properties

• Density: 1.443g/cm³ (Cal.)
• Boiling point: 298.581°C at 760 mmHg (Cal.)
• Flash point: 134.377°C (Cal.)