BRN 2770031

N-[4-[1-(4-methylphenyl)sulfanyl-2-nitroethyl]phenyl]acetamide

CAS: 20404-97-1

Molecular Formula	`C17H18N2O3S`
Molecular Weight	330.4 g/mol
LogP	3.3
Topological Polar Surface Area	100.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	330.10382
Heavy Atoms	23
Complexity	397.0

Chemical Identifiers

CAS Number	20404-97-1
SMILES	`CC1=CC=C(C=C1)SC(C[N+](=O)[O-])C2=CC=C(C=C2)NC(=O)C`
InChIKey	`FEYDRETXYFWGJR-UHFFFAOYSA-N`

📖 Product Overview

BRN 2770031 (CAS: 20404-97-1) is a chemical compound with molecular formula C17H18N2O3S and molecular weight 330.4 g/mol. Its IUPAC systematic name is N-[4-[1-(4-methylphenyl)sulfanyl-2-nitroethyl]phenyl]acetamide. LogP 3.3 Topological Polar Surface Area 100.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 330.10382 Heavy Atoms 23 Complexity 397.0 InChI Key: FEYDRETXYFWGJR-UHFFFAOYSA-N. SMILES: CC1=CC=C(C=C1)SC(C[N+](=O)[O-])C2=CC=C(C=C2)NC(=O)C.

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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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