AC1OFY4X structure

AC1OFY4X

ethyl 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Also Known As: F1063-0696|(Z)-ethyl 4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoate|ethyl 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate|ethyl 4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate|ethyl 4-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-4-oxo-2-thioxo-1,3-thia zolidin-3-yl]butanoate

CAS: 681817-45-8
Molecular Formula C17H17NO5S2
Molecular Weight 379.0548 g/mol
LogP 2.9598
Topological Polar Surface Area 65.07 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 379.0548
Monoisotopic Mass 379.0548
Heavy Atoms 25
Complexity 746.5538

Chemical Identifiers

CAS Number 681817-45-8
SMILES CCOC(=O)CCCN1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S

Product Overview

AC1OFY4X (CAS 681817-45-8), with molecular formula C17H17NO5S2 and molecular weight 379.0548 g/mol. IUPAC: ethyl 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate.

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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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