2-(1,1,3-Trioxo-1,2-benzothiazol-2-yl)propanoic acid ethyl ester
[CAS# 7501-64-6]

Identification

• Name: 2-(1,1,3-Trioxo-1,2-benzothiazol-2-yl)propanoic acid ethyl ester
• Synonyms: 2-(1,1,3-Trioxo-1,2-Benzothiazol-2-Yl)Propanoic Acid Ethyl Ester; 2-(1,1,3-Triketo-1,2-Benzothiazol-2-Yl)Propionic Acid Ethyl Ester; Nsc55355
• Molecular Formula: C₁₂H₁₃NO₅S
• Molecular Weight: 283.30
• CAS Registry Number: 7501-64-6
• SMILES: C1=CC=CC2=C1[S](N(C(C)C(=O)OCC)C2=O)(=O)=O
• InChI: 1S/C12H13NO5S/c1-3-18-12(15)8(2)13-11(14)9-6-4-5-7-10(9)19(13,16)17/h4-8H,3H2,1-2H3
• InChIKey: TXBFNFLCFHGZDN-UHFFFAOYSA-N

Properties

• Density: 1.408g/cm³ (Cal.)
• Boiling point: 442.07°C at 760 mmHg (Cal.)
• Flash point: 221.156°C (Cal.)