Phosphinothioic acid, diisopropyl-, O-(p-nitrophenyl) ester

HCID 211129

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 22372-03-8
Standard SMILES: CC(C)P(=S)(Oc1ccc([N+](=O)[O-])cc1)C(C)C
InChIKey: IEMGGQKXOBYLAA-UHFFFAOYSA-N
Molecular formula: C12H18NO3PS
Average molar mass: 287.32 g/mol
Monoisotopic mass: 287.07450161

Names & identifiers

Preferred name: Phosphinothioic acid, diisopropyl-, O-(p-nitrophenyl) ester
IUPAC: (4-nitrophenoxy)-di(propan-2-yl)-sulfanylidene-λ5-phosphane

Names & synonyms

22372-03-8Phosphinothioic acid, diisopropyl-, O-(p-nitrophenyl) esterRefChem:1095122Diisopropylphosphinothioic acid O-(p-nitrophenyl) estero-(4-nitrophenyl) dipropan-2-ylphosphinothioateBRN 2132424DTXSID40945022O-(4-Nitrophenyl) di(propan-2-yl)phosphinothioate

Database identifiers

CAS: 22372-03-8
PubChem CID: 211129
DTXSID: DTXSID40945022

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 87.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 321

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…