Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate

HCID 180686

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Basic information

CAS: 96183-03-8
Standard SMILES: CCNP(=S)(OCC)Oc1ccccc1C(=O)OC(C)C
InChIKey: SOSPDSLLSNRTNP-UHFFFAOYSA-N
Molecular formula: C14H22NO4PS
Average molar mass: 331.37 g/mol
Monoisotopic mass: 331.10071635

Names & identifiers

Preferred name: Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoate
IUPAC: propan-2-yl 2-[ethoxy(ethylamino)phosphinothioyl]oxybenzoate

Names & synonyms

96183-03-8Propan-2-yl 2-(ethoxy(ethylamino)phosphinothioyl)oxybenzoateDTXSID30914626Benzoic acid, 2-(ethoxy(ethylamino)phosphinothioyl)oxy)-, 1-methylethyl esterPropan-2-yl 2-{[ethoxy(ethylamino)phosphorothioyl]oxy}benzoate

Database identifiers

CAS: 96183-03-8
PubChem CID: 180686
DTXSID: DTXSID30914626

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 378

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