[5-(3-Methyl-7-Oxo-4,5,6,7-Tetrahydro-1,3-Benzothiazol-2(3H)-Ylidene)-4-Oxo-2-Thioxo-1,3-Thiazolidin-3-Yl]Acetic Acid
[CAS# 30906-38-8]

Identification

• Name: [5-(3-Methyl-7-Oxo-4,5,6,7-Tetrahydro-1,3-Benzothiazol-2(3H)-Ylidene)-4-Oxo-2-Thioxo-1,3-Thiazolidin-3-Yl]Acetic Acid
• Synonyms: 4-oxo-5-(4,5,6,7-tetrahydro-3-methyl-7-oxobenzothiazol-2(3H)-ylidene)-2-thioxothiazolidin-3-acetic acid
• Molecular Formula: C₁₃H₁₂N₂O₄S₃
• Molecular Weight: 356.44
• CAS Registry Number: 30906-38-8
• EINECS: 250-384-0
• SMILES: O=C(O)CN1C(=O)C(SC1=S)=C3S/C2=C(/CCCC2=O)N3C
• InChI: 1S/C13H12N2O4S3/c1-14-6-3-2-4-7(16)9(6)21-12(14)10-11(19)15(5-8(17)18)13(20)22-10/h2-5H2,1H3,(H,17,18)
• InChIKey: LDIQMRFGJSIDCT-UHFFFAOYSA-N

Properties

• Density: 1.718g/cm³ (Cal.)
• Boiling point: 514.511°C at 760 mmHg (Cal.)
• Flash point: 264.967°C (Cal.)