Ammonium, dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-m-tolyl-, methyl sulfate

HCID 38828

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Basic information

CAS: 41294-08-0
Standard SMILES: CCOP(C)(=O)SCC[N+](C)(C)c1cccc(C)c1.COS(=O)(=O)[O-]
InChIKey: NPVFZPPTECAEGW-UHFFFAOYSA-M
Molecular formula: C15H28NO6PS2
Average molar mass: 413.5 g/mol
Monoisotopic mass: 413.10956696

Names & identifiers

Preferred name: Ammonium, dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-m-tolyl-, methyl sulfate
IUPAC: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(3-methylphenyl)azanium;methyl sulfate

Names & synonyms

41294-08-0Ammonium, dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-m-tolyl-, methyl sulfateDimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-m-tolylammonium methyl sulfateBenzenaminium, N-(2-((ethoxymethylphosphinyl)thio)ethyl)-N,N,3-trimethyl-, methyl sulfateRefChem:319301DTXSID40961601N-(2-{[ethoxy(methyl)phosphoryl]sulfanyl}ethyl)-N,N,3-trimethylanilinium methyl sulfate

Database identifiers

CAS: 41294-08-0
PubChem CID: 38828
DTXSID: DTXSID40961601

Properties

Computed structural properties

Topological polar surface area: 126 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 413

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