(2-ethoxycarbonyl-3,3-dithiophen-2-ylprop-2-enyl)-dimethylazanium2,4,6-trinitrophenolate

(2-ethoxycarbonyl-3,3-dithiophen-2-ylprop-2-enyl)-dimethylazanium;2,4,6-trinitrophenolate

CAS: 102751-39-3

Molecular Formula	`C22H22N4O9S2`
Molecular Weight	550.6 g/mol
Topological Polar Surface Area	248.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	550.0828
Heavy Atoms	37
Complexity	669.0

Chemical Identifiers

CAS Number	102751-39-3
SMILES	`CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)C[NH+](C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`YLDASBGFJKIZPR-UHFFFAOYSA-N`

📖 Product Overview

(2-ethoxycarbonyl-3,3-dithiophen-2-ylprop-2-enyl)-dimethylazanium2,4,6-trinitrophenolate (CAS: 102751-39-3) is a chemical compound with molecular formula C22H22N4O9S2 and molecular weight 550.6 g/mol. Its IUPAC systematic name is (2-ethoxycarbonyl-3,3-dithiophen-2-ylprop-2-enyl)-dimethylazanium;2,4,6-trinitrophenolate. Topological Polar Surface Area 248.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 11 Rotatable Bonds 7 Exact Mass 550.0828 Heavy Atoms 37 Complexity 669.0 InChI Key: YLDASBGFJKIZPR-UHFFFAOYSA-N. SMILES: CCOC(=O)C(=C(C1=CC=CS1)C2=CC=CS2)C[NH+](C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].

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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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