Compound Q&A

What are the physical and chemical properties of 2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid (CAS: 147597-66-8)?

Answer

2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid
2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid is a crystalline compound with a molecular weight of approximately 578.39 g/mol. It has a low solubility in water but is soluble in organic solvents. The compound exhibits typical reactivity as a carboxylic acid derivative, making it prone to nucleophilic substitution reactions. It is stable under normal conditions but can react with thiols to form thioesters.

About

English Name 2,2',2''-[2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl]triacetic acid
Molecular Formula C20H26N4O6S
Molecular Weight 450.51700000000017 g/mol
SMILES C1CN(CC(N(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O
InChIKey ABEIJMWLNYUWMD-UHFFFAOYSA-N
Last Updated: 2025-10-28 23:23

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