(2-Thioxo-2,3-Dihydro-1,3-Benzothiazol-5-Yl)Acetic Acid
[CAS# 121942-09-4]

Identification

• Name: (2-Thioxo-2,3-Dihydro-1,3-Benzothiazol-5-Yl)Acetic Acid
• Synonyms: 2-(2-thioxo-2,3-dihydrobenzo[d]thiazol-5-yl)acetic acid
• Molecular Formula: C₉H₇NO₂S₂
• Molecular Weight: 225.29
• CAS Registry Number: 121942-09-4
• SMILES: OC(=O)Cc1cc2NC(=S)Sc2cc1
• InChI: 1S/C9H7NO2S2/c11-8(12)4-5-1-2-7-6(3-5)10-9(13)14-7/h1-3H,4H2,(H,10,13)(H,11,12)
• InChIKey: XQQGHVZVIRGWFP-UHFFFAOYSA-N

Properties

• Density: 1.592g/cm³ (Cal.)
• Boiling point: 447.471°C at 760 mmHg (Cal.)
• Flash point: 224.423°C (Cal.)
• Refractive index: 1.773 (Cal.)