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

HCID 214732

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Basic information

CAS: 34013-90-6
Standard SMILES: CCOP(=O)(OCC)SCC(=O)N(C)C
InChIKey: AJTMDWQLMRDRHE-UHFFFAOYSA-N
Molecular formula: C8H18NO4PS
Average molar mass: 255.27 g/mol
Monoisotopic mass: 255.06941623

Names & identifiers

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

Names & synonyms

BRN 1793589Phosphorothioic acid, O,O-diethyl S-(2-(dimethylamino)-2-oxoethyl) ester34013-90-6O,O-Diethyl S-(N,N-dimethylcarbamoylmethyl) phosphorothiolateDTXSID601876244-04-00-00253 (Beilstein Handbook Reference)RefChem:371317DTXCID20110115s-[2-(dimethylamino)-2-oxoethyl] o,o-diethyl phosphorothioate

Database identifiers

CAS: 34013-90-6
PubChem CID: 214732
DTXSID: DTXSID60187624

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 81.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 237

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