Thymolphthalexone

Thymolphthalexone is a chemical compound from the group of iminodiacetic acid derivatives of thymolphthalein.^[3] Its chemical formula is C₃₈H₄₄N₂O₁₂.

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Thymolphthalexone

Names
Other names Thymolphthalexon, thymolphthalein complexone,[1] TPC[2]
Identifiers
CAS Number	1913-93-5
3D model (JSmol)	Interactive image
ChemSpider	101208
ECHA InfoCard	100.016.026
EC Number	217-627-2
PubChem CID	112918
CompTox Dashboard (EPA)	DTXSID10172646
InChI InChI=1S/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48) Key: AGXCADFSYJNMEG-UHFFFAOYSA-N
SMILES CC1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(C)C)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)O)CC(=O)O)C
Properties
Chemical formula	C38H44N2O12
Molar mass	720.772 g·mol−1
Appearance	white crystalline powder
Melting point	191 °C (376 °F; 464 K)
Solubility in water	soluble
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

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This is a metallochromic indicator widely used in complexometric titrations, particularly for the determination of transition metals. The compound features a thymolphthalein-derived core linked to aminopolycarboxylic acid functional groups. This hybrid architecture grants the compound the ability to preferentially bind specific metal ions through coordinated interactions.