AC1O3Y1O structure

AC1O3Y1O

[4-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] benzoate

Also Known As: (E)-4-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-2-methoxyphenyl benzoate|[4-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] benzoate

CAS: 374101-07-2
Molecular Formula C28H25NO6S2
Molecular Weight 535.1123 g/mol
LogP 5.3755
Topological Polar Surface Area 74.3 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 9
Exact Mass 535.1123
Monoisotopic Mass 535.1123
Heavy Atoms 37
Complexity 1356.0333

Chemical Identifiers

CAS Number 374101-07-2
SMILES COC1=C(C=C(C=C1)CCN2C(=O)/C(=C\C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC)/SC2=S)OC

Product Overview

AC1O3Y1O (CAS 374101-07-2), with molecular formula C28H25NO6S2 and molecular weight 535.1123 g/mol. IUPAC: [4-[(E)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] benzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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