CAS 27943-36-8

2,3-Dihydro-3,3-dimethyl-4H-1-benzothiopyran-4-one

Description:

2,3-Dihydro-3,3-dimethyl-4H-1-benzothiopyran-4-one, with the CAS number 27943-36-8, is a heterocyclic organic compound characterized by its unique bicyclic structure that incorporates both a benzene ring and a thiopyran moiety. This compound typically exhibits a pale yellow to light brown appearance and is soluble in organic solvents. Its molecular structure features a thiophene-like ring fused to a benzene ring, contributing to its potential reactivity and stability. The presence of the carbonyl group (ketone) in the structure can influence its chemical behavior, making it a candidate for various chemical reactions, including nucleophilic additions. Additionally, the dimethyl groups provide steric hindrance, which can affect its reactivity and interactions with other molecules. This compound may have applications in organic synthesis and could serve as a precursor or intermediate in the development of pharmaceuticals or agrochemicals. However, specific biological activities or toxicity profiles would require further investigation to fully understand its potential uses and safety considerations.

Formula: C₁₁H₁₂OS

InChI: InChI=1S/C11H12OS/c1-11(2)7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,7H2,1-2H3

InChI key: InChIKey=XHPQROKSTPPIFJ-UHFFFAOYSA-N

SMILES: O=C1C=2C(SCC1(C)C)=CC=CC2

Synonyms:

• Thiochroman-4-one, 3,3-dimethyl-
• 2,3-Dihydro-3,3-dimethyl-4H-1-benzothiopyran-4-one
• 3,3-Dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-one
• 3,3-Dimethylthiochroman-4-one
• 4H-1-Benzothiopyran-4-one, 2,3-dihydro-3,3-dimethyl-