{[4-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Phenyl]Sulfanyl}Acetic Acid
[CAS# 447414-44-0]

Identification

• Name: {[4-({[(2-Methyl-2-Propanyl)Oxy]Carbonyl}Amino)Phenyl]Sulfanyl}Acetic Acid
• Synonyms: ({4-[(tert-butoxycarbonyl)amino]phenyl}sulfanyl)acetic acid; (4-tert-Butoxycarbonylamino-phenylsulfanyl)-acetic acid; 2-{4-[(tert-butoxy)carbonylamino]phenylthio}acetic acid
• Molecular Formula: C₁₃H₁₇NO₄S
• Molecular Weight: 283.34
• CAS Registry Number: 447414-44-0
• SMILES: O=C(OC(C)(C)C)Nc1ccc(SCC(=O)O)cc1
• InChI: 1S/C13H17NO4S/c1-13(2,3)18-12(17)14-9-4-6-10(7-5-9)19-8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
• InChIKey: PGOGKMQWOYDFII-UHFFFAOYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 396.665°C at 760 mmHg (Cal.)
• Flash point: 193.697°C (Cal.)
• Refractive index: 1.576 (Cal.)

Safety Data

• Safety Description: IRRITANT