N-(2-((4-Methylphenyl)imino)-4-oxo-3-thiazolidinyl)-2-(4-nitrophenoxy)acetamide

N-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-2-(4-nitrophenoxy)acetamide

CAS: 112122-54-0

Molecular Formula	`C18H16N4O5S`
Molecular Weight	400.4 g/mol
LogP	3.5
Topological Polar Surface Area	142.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	400.08414
Heavy Atoms	28
Complexity	622.0

Chemical Identifiers

CAS Number	112122-54-0
SMILES	`CC1=CC=C(C=C1)N=C2N(C(=O)CS2)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]`
InChIKey	`QYVBABIGDKJAKL-UHFFFAOYSA-N`

📖 Product Overview

N-(2-((4-Methylphenyl)imino)-4-oxo-3-thiazolidinyl)-2-(4-nitrophenoxy)acetamide (CAS: 112122-54-0) is a chemical compound with molecular formula C18H16N4O5S and molecular weight 400.4 g/mol. Its IUPAC systematic name is N-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-2-(4-nitrophenoxy)acetamide. LogP 3.5 Topological Polar Surface Area 142.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 4 Exact Mass 400.08414 Heavy Atoms 28 Complexity 622.0 InChI Key: QYVBABIGDKJAKL-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)N=C2N(C(=O)CS2)NC(=O)COC3=CC=C(C=C3)[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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