3-(1-Benzothiophen-3-yl)-L-alanine
[CAS# 72170-71-9]

Identification

• Name: 3-(1-Benzothiophen-3-yl)-L-alanine
• Synonyms: (2S)-2-amino-3-benzo[b]thiophen-3-ylpropanoic acid; (S)-2-amino-3-(benzo[b]thiophen-3-yl)propanoic acid; 3-(1-Benzothiophen-3-yl)-L-alanine, 3-(Thianaphthen-3-yl)-L-alanine, (2S)-2-Amino-3-(benzo[b]thiophen-3-yl)propanoic acid
• Molecular Formula: C₁₁H₁₁NO₂S
• Molecular Weight: 221.28
• CAS Registry Number: 72170-71-9
• SMILES: O=C(O)[C@@H](N)Cc1c2ccccc2sc1
• InChI: 1S/C11H11NO2S/c12-9(11(13)14)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9H,5,12H2,(H,13,14)/t9-/m0/s1
• InChIKey: GAUUPDQWKHTCAX-VIFPVBQESA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 416.66°C at 760 mmHg (Cal.)
• Flash point: 205.789°C (Cal.)