Ammonium, dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-p-methoxyphenyl-, methyl sulfate

HCID 38834

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Basic information

CAS: 41294-12-6
Standard SMILES: CCOP(C)(=O)SCC[N+](C)(C)c1ccc(OC)cc1.COS(=O)(=O)[O-]
InChIKey: HGLDINIOIRJTII-UHFFFAOYSA-M
Molecular formula: C15H28NO7PS2
Average molar mass: 429.5 g/mol
Monoisotopic mass: 429.10448158

Names & identifiers

Preferred name: Ammonium, dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-p-methoxyphenyl-, methyl sulfate
IUPAC: 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-(4-methoxyphenyl)-dimethylazanium;methyl sulfate

Names & synonyms

Dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-p-methoxyphenylammonium methyl sulfate41294-12-6Ammonium, dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-p-methoxyphenyl-, methyl sulfateRefChem:319302DTXSID20961604N-(2-{[Ethoxy(methyl)phosphoryl]sulfanyl}ethyl)-4-methoxy-N,N-dimethylanilinium methyl sulfate

Database identifiers

CAS: 41294-12-6
PubChem CID: 38834
DTXSID: DTXSID20961604

Properties

Computed structural properties

Topological polar surface area: 136 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 421

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