N-[cyano(methylsulfanyl)methyl]-4-nitrobenzamide

CAS: 31666-17-8

Molecular Formula	`C10H9N3O3S`
Molecular Weight	251.26 g/mol
LogP	1.6
Topological Polar Surface Area	124.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	251.03647
Heavy Atoms	17
Complexity	338.0

Chemical Identifiers

CAS Number	31666-17-8
SMILES	`CSC(C#N)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]`
InChIKey	`WHRSLRUGPLZANB-UHFFFAOYSA-N`

📖 Product Overview

N-[cyano(methylsulfanyl)methyl]-4-nitrobenzamide (CAS: 31666-17-8) is a chemical compound with molecular formula C10H9N3O3S and molecular weight 251.26 g/mol. Its IUPAC systematic name is N-[cyano(methylsulfanyl)methyl]-4-nitrobenzamide. LogP 1.6 Topological Polar Surface Area 124.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 251.03647 Heavy Atoms 17 Complexity 338.0 InChI Key: WHRSLRUGPLZANB-UHFFFAOYSA-N. SMILES: CSC(C#N)NC(=O)C1=CC=C(C=C1)[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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