Compound C15H28NO6PS2

2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(4-methylphenyl)azanium;methyl sulfate

CAS: 41294-11-5

Molecular Formula	`C15H28NO6PS2`
Molecular Weight	413.5 g/mol
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	413.10956
Heavy Atoms	25
Complexity	405.0

Chemical Identifiers

CAS Number	41294-11-5
SMILES	`CCOP(=O)(C)SCC[N+](C)(C)C1=CC=C(C=C1)C.COS(=O)(=O)[O-]`
InChIKey	`NXUQMWVAOQHTST-UHFFFAOYSA-M`

📖 Product Overview

Compound C15H28NO6PS2 (CAS: 41294-11-5) is a chemical compound with molecular formula C15H28NO6PS2 and molecular weight 413.5 g/mol. Its IUPAC systematic name is 2-[ethoxy(methyl)phosphoryl]sulfanylethyl-dimethyl-(4-methylphenyl)azanium;methyl sulfate. Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 7 Exact Mass 413.10956 Heavy Atoms 25 Complexity 405.0 InChI Key: NXUQMWVAOQHTST-UHFFFAOYSA-M. SMILES: CCOP(=O)(C)SCC[N+](C)(C)C1=CC=C(C=C1)C.COS(=O)(=O)[O-].

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