Phosphorothioic acid, O,O-diethyl S-(2-(diethylamino)-2-oxoethyl) ester

HCID 215550

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Basic information

CAS: 35841-65-7
Standard SMILES: CCOP(=O)(OCC)SCC(=O)N(CC)CC
InChIKey: AHHZLEHPLYDDCB-UHFFFAOYSA-N
Molecular formula: C10H22NO4PS
Average molar mass: 283.33 g/mol
Monoisotopic mass: 283.10071635

Names & identifiers

Preferred name: Phosphorothioic acid, O,O-diethyl S-(2-(diethylamino)-2-oxoethyl) ester
IUPAC: 2-diethoxyphosphorylsulfanyl-N,N-diethylacetamide

Names & synonyms

Phosphorothioic acid, O,O-diethyl S-(2-(diethylamino)-2-oxoethyl) ester35841-65-7BRN 1797367O,O-Diethyl S-(N,N-diethylcarbamoylmethyl) phosphorothiolates-[2-(diethylamino)-2-oxoethyl] o,o-diethyl phosphorothioateDTXSID90189378SR-01000207114SR-01000207114-1

Database identifiers

CAS: 35841-65-7
PubChem CID: 215550
DTXSID: DTXSID90189378

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 17
Formal charge: 0
Complexity: 261

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