[1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-(methylsulfanyl)-1H-indol-2-yl]boronic acid
[CAS# 945493-45-8]

Identification

• Name: [1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-(methylsulfanyl)-1H-indol-2-yl]boronic acid
• Synonyms: 1H-Indole-1-carboxylic acid, 2-borono-5-(methylthio)-, 1-(1,1-dimethylethyl) ester; 1H-Indole-1-carboxylic acid,2-borono-5-(methylthio)-,1-(1,1-dimethylethyl)ester
• Molecular Formula: C₁₄H₁₈BNO₄S
• Molecular Weight: 307.17
• CAS Registry Number: 945493-45-8
• SMILES: B(c1cc2cc(ccc2n1C(=O)OC(C)(C)C)SC)(O)O
• InChI: 1S/C14H18BNO4S/c1-14(2,3)20-13(17)16-11-6-5-10(21-4)7-9(11)8-12(16)15(18)19/h5-8,18-19H,1-4H3
• InChIKey: VIWMVPPMSBRELV-UHFFFAOYSA-N

Properties

• Density: 1.221g/cm³ (Cal.)
• Boiling point: 502.68°C at 760 mmHg (Cal.)
• Flash point: 257.812°C (Cal.)
• Refractive index: 1.568 (Cal.)