O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate

HCID 210586

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 21327-31-1
Standard SMILES: CCCn1c(C)cc(OP(=S)(OCC)OCC)cc1=O
InChIKey: HKRGNMRSLBMGGM-UHFFFAOYSA-N
Molecular formula: C13H22NO4PS
Average molar mass: 319.36 g/mol
Monoisotopic mass: 319.10071635

Names & identifiers

Preferred name: O,O-Diethyl O-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate
IUPAC: 4-diethoxyphosphinothioyloxy-6-methyl-1-propylpyridin-2-one

Names & synonyms

DTXSID80943880o,o-diethyl o-(6-methyl-2-oxo-1-propyl-1,2-dihydropyridin-4-yl) phosphorothioate21327-31-1RefChem:1093496DTXCID001372240MC 31181-Propyl-6-methyl-4-(diethylthiophosphoryl)-2-pyridoneAI3-27631Phosphorothioic acid, O-(1,2-dihydro-6-methyl-2-oxo-1-propyl-4-pyridinyl) O,O-diethyl esterPhosphorothioic acid, O,O-diethyl ester, O-ester with 4-hydroxy-6-methyl-1-propyl-2(1H)-pyridone

Database identifiers

CAS: 21327-31-1
PubChem CID: 210586
DTXSID: DTXSID80943880

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 80.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 451

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…