5-(3-Methylbenzothiazol-2(3H)-Ylidene)-4-Oxo-2-Thioxothiazolidin-3-Acetic Acid
[CAS# 41504-19-2]

Identification

• Name: 5-(3-Methylbenzothiazol-2(3H)-Ylidene)-4-Oxo-2-Thioxothiazolidin-3-Acetic Acid
• Synonyms: 2-[(5E)-5-(3-Methyl-1,3-Benzothiazol-2-Ylidene)-4-Oxo-2-Sulfanylidene-1,3-Thiazolidin-3-Yl]Acetic Acid; 2-[5-(3-Methyl-1,3-Benzothiazol-2-Ylidene)-4-Oxo-2-Thioxo-Thiazolidin-3-Yl]Acetic Acid; 2-[(5E)-5-(3-Methyl-1,3-Benzothiazol-2-Ylidene)-4-Oxo-2-Thioxo-Thiazolidin-3-Yl]Acetic Acid
• Molecular Formula: C₁₃H₁₀N₂O₃S₃
• Molecular Weight: 338.41
• CAS Registry Number: 41504-19-2
• EINECS: 255-416-7
• SMILES: C1=CC=CC2=C1SC(/N2C)=C\3SC(=S)N(C3=O)CC(=O)O
• InChI: 1S/C13H10N2O3S3/c1-14-7-4-2-3-5-8(7)20-12(14)10-11(18)15(6-9(16)17)13(19)21-10/h2-5H,6H2,1H3,(H,16,17)/b12-10+
• InChIKey: RPTCCZCUFYQVQQ-ZRDIBKRKSA-N

Properties

• Density: 1.712g/cm³ (Cal.)
• Boiling point: 442.359°C at 760 mmHg (Cal.)
• Flash point: 221.331°C (Cal.)