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

HCID 38836

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Basic information

CAS: 41294-13-7
Standard SMILES: CCOP(C)(=O)SCC[N+](C)(C)c1ccc(Cl)cc1.COS(=O)(=O)[O-]
InChIKey: ICMGSESCXXOUHC-UHFFFAOYSA-M
Molecular formula: C14H25ClNO6PS2
Average molar mass: 433.9 g/mol
Monoisotopic mass: 433.0549446

Names & identifiers

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

Names & synonyms

41294-13-7(p-Chlorophenyl)dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)ammonium methyl sulfateAmmonium, (p-chlorophenyl)dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-, methyl sulfateRefChem:319071DTXSID809616054-Chloro-N-(2-{[ethoxy(methyl)phosphoryl]sulfanyl}ethyl)-N,N-dimethylanilinium methyl sulfate

Database identifiers

CAS: 41294-13-7
PubChem CID: 38836
DTXSID: DTXSID80961605

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: 410

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