3-(5,5-Bis-Hydroxymethyl-4-Oxo-4,5-Dihydro-Thiazol-2-Ylamino)-Benzoic Acid
[CAS# 436088-77-6]

Identification

• Name: 3-(5,5-Bis-Hydroxymethyl-4-Oxo-4,5-Dihydro-Thiazol-2-Ylamino)-Benzoic Acid
• Synonyms: 3-[[5,5-Bis(Hydroxymethyl)-4-Oxo-Thiazol-2-Yl]Amino]Benzoate; 3-[[5,5-Bis(Hydroxymethyl)-4-Oxo-2-Thiazolyl]Amino]Benzoate; 3-[(4-Keto-5,5-Dimethylol-Thiazol-2-Yl)Amino]Benzoate
• Molecular Formula: C₁₂H₁₁N₂O₅S
• Molecular Weight: 295.29
• CAS Registry Number: 436088-77-6
• SMILES: C1=C(C=CC=C1NC2=NC(=O)C(S2)(CO)CO)C([O-])=O
• InChI: 1S/C12H12N2O5S/c15-5-12(6-16)10(19)14-11(20-12)13-8-3-1-2-7(4-8)9(17)18/h1-4,15-16H,5-6H2,(H,17,18)(H,13,14,19)/p-1
• InChIKey: YVNXITBDGKFFOL-UHFFFAOYSA-M

Properties

• Boiling point: 561.392°C at 760 mmHg (Cal.)
• Flash point: 293.319°C (Cal.)