3-(1,3-Benzothiazol-2-Yl)-L-Alanine
[CAS# 176959-62-9]

Identification

• Name: 3-(1,3-Benzothiazol-2-Yl)-L-Alanine
• Synonyms: (2S)-2-amino-3-benzothiazol-2-yl-propionic acid; (S)-2-amino-3-(benzo[d]thiazol-2-yl)propanoic acid
• Molecular Formula: C₁₀H₁₀N₂O₂S
• Molecular Weight: 222.26
• CAS Registry Number: 176959-62-9
• SMILES: C1=CC=C2C(=C1)N=C(S2)C[C@@H](C(=O)O)N
• InChI: 1S/C10H10N2O2S/c11-6(10(13)14)5-9-12-7-3-1-2-4-8(7)15-9/h1-4,6H,5,11H2,(H,13,14)/t6-/m0/s1
• InChIKey: DNDVHMGBCGSRIY-LURJTMIESA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 419.5±40.0°C at 760 mmHg (Cal.)
• Flash point: 207.5±27.3°C (Cal.)
• Refractive index: 1.703 (Cal.)