4,5,6,7-Tetrahydro-1,3-benzothiazole

China [CN]

I. Basic Information

Chinese Name: 4,5,6,7-Tetrahydro-1,3-benzothiazole

English Name: 4,5,6,7-Tetrahydro-1,3-benzothiazole

CAS Number: 95-15-8

Molecular Formula: C₇H₁₁NS

Molecular Weight: 141.23 (Calculated: C 59.53%, H 7.85%, N 9.92%, S 22.70%)

II. Chemical Structure and Characteristics

Structural Analysis: The molecule is based on a 1,3-benzothiazole nucleus (composed of a fused benzene ring and a thiazole ring containing sulfur and nitrogen atoms). However, the benzene ring is fully saturated (with methylene groups at positions 4, 5, 6, and 7 forming a six-membered saturated ring), retaining only the aromaticity of the thiazole ring. Core Features:

The saturated six-membered ring (the original benzene ring) imparts a degree of flexibility to the molecule, making its lipid solubility and reactivity more easily adjustable compared to aromatic benzothiazoles.

The sulfur (S) and nitrogen (N) atoms of the thiazole ring possess lone pairs of electrons, which can act as ligands to coordinate with metal ions or participate in hydrogen bonding interactions.

Active hydrogen atoms on the ring (such as at positions 2, 4, and 7) can undergo substitution reactions, expanding structural diversity.