2-[1,3-Benzodioxol-5-Yl-(Carboxymethylsulfanyl)Methyl]Sulfanylacetic Acid
[CAS# 34914-27-7]

Identification

• Name: 2-[1,3-Benzodioxol-5-Yl-(Carboxymethylsulfanyl)Methyl]Sulfanylacetic Acid
• Synonyms: 2-[[1,3-Benzodioxol-5-Yl-(Carboxymethylthio)Methyl]Thio]Acetic Acid; 2-[1,3-Benzodioxol-5-Yl-(Carboxymethylsulfanyl)Methyl]Sulfanylethanoic Acid; Sr-01000645124-1
• Molecular Formula: C₁₂H₁₂O₆S₂
• Molecular Weight: 316.34
• CAS Registry Number: 34914-27-7
• SMILES: C1=C(C(SCC(O)=O)SCC(O)=O)C=CC2=C1OCO2
• InChI: 1S/C12H12O6S2/c13-10(14)4-19-12(20-5-11(15)16)7-1-2-8-9(3-7)18-6-17-8/h1-3,12H,4-6H2,(H,13,14)(H,15,16)
• InChIKey: VNAYOZFFVJKRMJ-UHFFFAOYSA-N

Properties

• Density: 1.575g/cm³ (Cal.)
• Boiling point: 542.603°C at 760 mmHg (Cal.)
• Flash point: 281.956°C (Cal.)