3-[(3-Methyl-1,3-thiazolidin-2-ylidene)methyl]-1H-isoindol-1-imine 4-methylbenzenesulfonate (1:1)
[CAS# 93981-16-9]

Identification

• Name: 3-[(3-Methyl-1,3-thiazolidin-2-ylidene)methyl]-1H-isoindol-1-imine 4-methylbenzenesulfonate (1:1)
• Synonyms: 3-[(3-methylthiazolidin-2-ylidene)methyl]-1H-isoindol-1-imine mono(toluene-4-sulphonate)
• Molecular Formula: C₂₀H₂₁N₃O₃S₂
• Molecular Weight: 415.53
• CAS Registry Number: 93981-16-9
• EINECS: 301-098-0
• SMILES: CN3CCSC3=C/C1=N/C(=N)c2ccccc12.OS(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C13H13N3S.C7H8O3S/c1-16-6-7-17-12(16)8-11-9-4-2-3-5-10(9)13(14)15-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,8,14H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)
• InChIKey: JRIUPQDHOKFVKV-UHFFFAOYSA-N

Properties

• Boiling point: 620.9°C at 760 mmHg (Cal.)
• Flash point: 329.3°C (Cal.)