N,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide

CAS: 73857-20-2

Molecular Formula	`C13H22N4O4S`
Molecular Weight	330.41 g/mol
LogP	-0.3
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	330.13617
Heavy Atoms	22
Complexity	387.0

Chemical Identifiers

CAS Number	73857-20-2
SMILES	`CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C[N+](C)(C)[O-]`
InChIKey	`DFJVUWAHTQPQCV-UHFFFAOYSA-N`

📖 Product Overview

N,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide (CAS: 73857-20-2) is a chemical compound with molecular formula C13H22N4O4S and molecular weight 330.41 g/mol. Its IUPAC systematic name is N,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide. LogP -0.3 Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 9 Exact Mass 330.13617 Heavy Atoms 22 Complexity 387.0 InChI Key: DFJVUWAHTQPQCV-UHFFFAOYSA-N. SMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)C[N+](C)(C)[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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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for N,N-dimethyl-1-[5-[2-[[1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide.

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