Basic information
- CAS
6119-96-6- Standard SMILES
CCOP(=S)(OCC)SCN1C(=O)c2ccccc2C1=O- InChIKey
KTZJVUBSCYTBMB-UHFFFAOYSA-N- Molecular formula
- C13H16NO4PS2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.02583734
Names & identifiers
- Preferred name
- R 1448
- IUPAC
- 2-(diethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione
- English name
- Dithiophosphoric acid O,O-diethyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] ester
- Molecular formula
- C13H16NO4PS2
- Molecular weight
- 345.37
Names & synonyms
R 14486119-96-6DTXSID70210078RefChem:1097942DTXCID70132569Stauffer R-1448ENT 25,532BRN 0287058AI3-25532Phosphorodithioic acid, O,O-diethyl ester, S-ester with N-(mercaptomethyl)phthalimidePhosphorodithioic acid, S-((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O,O-diethyl esters-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl] o,o-diethyl phosphorodithioate
Show more names
R-1448ENT-25532Dithiophosphoric acid O,O-diethyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] esterPhosphorodithioic acid, S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] O,O-diethyl ester
Database identifiers
- CAS
6119-96-6- PubChem CID
- 80205
- DTXSID
DTXSID70210078- Nikkaji
- J10.570H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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