Sodium 7-(P-(Methylthio)Benzoyl)-5-Benzofuranacetate Hydrate
[CAS# 102488-97-1]

Identification

• Name: Sodium 7-(P-(Methylthio)Benzoyl)-5-Benzofuranacetate Hydrate
• Synonyms: Sodium 2-[7-(4-Methylsulfanylbenzoyl)Benzofuran-5-Yl]Acetate Hydrate; Sodium 2-[7-[[4-(Methylthio)Phenyl]-Oxomethyl]-5-Benzofuranyl]Acetate Hydrate; Sodium 2-[7-[4-(Methylthio)Benzoyl]Benzofuran-5-Yl]Acetate Hydrate
• Molecular Formula: C₁₈H₁₅NaO₅S
• Molecular Weight: 366.36
• CAS Registry Number: 102488-97-1
• SMILES: C1=C(C=C3C(=C1C(=O)C2=CC=C(SC)C=C2)OC=C3)CC([O-])=O.[Na+].O
• InChI: 1S/C18H14O4S.Na.H2O/c1-23-14-4-2-12(3-5-14)17(21)15-9-11(10-16(19)20)8-13-6-7-22-18(13)15;;/h2-9H,10H2,1H3,(H,19,20);;1H2/q;+1;/p-1
• InChIKey: DCTVJZGYZTWBLO-UHFFFAOYSA-M

Properties

• Boiling point: 551.3°C at 760 mmHg (Cal.)
• Flash point: 287.2°C (Cal.)