Basic information
- CAS
3733-84-4- Standard SMILES
CCOP(=S)(OC(C)C)ON1C(=O)c2ccccc2C1=O- InChIKey
IXLQATCUQZJKGG-UHFFFAOYSA-N- Molecular formula
- C13H16NO5PS
- Average molar mass
- 329.31 g/mol
- Monoisotopic mass
- 329.04868078
Names & identifiers
- Preferred name
- Phthalimide, N-hydroxy-, O-ethyl O-isopropyl phosphorothioate
- IUPAC
- 2-[ethoxy(propan-2-yloxy)phosphinothioyl]oxyisoindole-1,3-dione
- English name
- Thiophosphoric acid O-ethyl O-isopropyl O-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) ester
- Molecular weight
- 0
Names & synonyms
Bayer 18779BAY 18779ENT 25,5143733-84-4O-Ethyl O-isopropyl O-phthaloxamido phosphorothioateAI3-25514O-(1,3-Dioxo-1H-isoindol-2-yl) O-ethyl O-(1-methylethyl) phosphorothioatePhthalimide, N-hydroxy-, O-ethyl O-isopropyl phosphorothioatePhosphorothioic acid, O-(1,3-dioxo-1H-isoindol-2-yl) O-ethyl O-(1-methylethyl) esterPhosphorothioic acid, O-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) O-ethyl O-(1-methylethyl) esterRefChem:371608DTXSID30958444
Show more names
BAY-18779ENT-25514Bayer-187792-[[Ethoxy(1-methylethoxy)phosphinothioyl]oxy]-1H-isoindole-1,3(2H)-dioneThiophosphoric acid O-ethyl O-isopropyl O-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl) ester
2-({Ethoxy[(propan-2-yl)oxy]phosphorothioyl}oxy)-1H-isoindole-1,3(2H)-dioneO-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl) O-ethyl O-(propan-2-yl) phosphorothioate
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 97.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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