Sodium 2-[4-(1,3-Dihydro-1-Oxo-2H-Isoindol-2-Ylthio)Phenyl]Butyrate
[CAS# 94135-04-3]

Identification

• Name: Sodium 2-[4-(1,3-Dihydro-1-Oxo-2H-Isoindol-2-Ylthio)Phenyl]Butyrate
• Synonyms: Sodium 2-[4-(1-Oxoisoindolin-2-Yl)Sulfanylphenyl]Butanoate; Sodium 2-[4-[(1-Oxo-2-Isoindolinyl)Thio]Phenyl]Butanoate; Sodium 2-[4-[(1-Ketoisoindolin-2-Yl)Thio]Phenyl]Butyrate
• Molecular Formula: C₁₈H₁₆NNaO₃S
• Molecular Weight: 349.38
• CAS Registry Number: 94135-04-3
• EINECS: 302-872-0
• SMILES: C1=CC=CC3=C1C(=O)N(SC2=CC=C(C(C([O-])=O)CC)C=C2)C3.[Na+]
• InChI: 1S/C18H17NO3S.Na/c1-2-15(18(21)22)12-7-9-14(10-8-12)23-19-11-13-5-3-4-6-16(13)17(19)20;/h3-10,15H,2,11H2,1H3,(H,21,22);/q;+1/p-1
• InChIKey: BRYZHEJHXSOPQF-UHFFFAOYSA-M

Properties

• Boiling point: 525.8°C at 760 mmHg (Cal.)
• Flash point: 271.8°C (Cal.)