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

HCID 215549

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Basic information

CAS: 35841-63-5
Standard SMILES: CCCCNC(=O)CSP(=O)(OCC)OCC
InChIKey: JHKLRKZZJVNOIS-UHFFFAOYSA-N
Molecular formula: C10H22NO4PS
Average molar mass: 283.33 g/mol
Monoisotopic mass: 283.10071635

Names & identifiers

Preferred name: Phosphorothioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl ester
IUPAC: N-butyl-2-diethoxyphosphorylsulfanylacetamide

Names & synonyms

BRN 2276278Phosphorothioic acid, S-(2-(butylamino)-2-oxoethyl) O,O-diethyl esterO,O-Diethyl S-(N-n-butylcarbamoyl) phosphorothiolate35841-63-5DTXSID30189377RefChem:371469DTXCID60111868s-[2-(butylamino)-2-oxoethyl] o,o-diethyl phosphorothioate

Database identifiers

CAS: 35841-63-5
PubChem CID: 215549
DTXSID: DTXSID30189377

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 89.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 17
Formal charge: 0
Complexity: 253

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