Phosphonodithioic acid, ethyl-, O-isopropyl ester, S-ester with N-(mercaptomethyl)phthalimide
Basic information
- CAS
16537-51-2- Standard SMILES
CCP(=S)(OC(C)C)SCN1C(=O)c2ccccc2C1=O- InChIKey
XTPQVUHBEQVOSI-UHFFFAOYSA-N- Molecular formula
- C14H18NO3PS2
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.04657278
Names & identifiers
- Preferred name
- Phosphonodithioic acid, ethyl-, O-isopropyl ester, S-ester with N-(mercaptomethyl)phthalimide
- IUPAC
- 2-[[ethyl(propan-2-yloxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
- English name
- Ethylphosphonodithioic acid O-isopropyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] ester
- Molecular formula
- C14H18NO3PS2
- Molecular weight
- 343.4
Names & synonyms
16537-51-2N 4539BRN 1486452AI3-27014N-4543O-Isopropyl-S-(phthalimidomethyl)-ethylphosphonodithioateS-((N-Phthalimido)methyl) O-isopropoxy ethylphosphonodithioateN-(Mercaptomethyl)phthalimide-S-(O-isopropyl)-ethylphosphonodithioatePhosphonodithioic acid, ethyl-, O-isopropyl ester, S-ester with N-(mercaptomethyl)phthalimideS-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-(1-methylethyl) ethylphosphonodithioatePhosphonodithioic acid, ethyl-, S-((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-(1-methylethyl) esterRefChem:370678
Show more names
N-4539Ethyldithiophosphonic acid O-isopropyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] esterEthylphosphonodithioic acid S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]O-(1-methylethyl) esterPhosphonodithioic acid, ethyl-, S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] O-(1-methylethyl) ester (9CI)
2-[[ethyl(propan-2-yloxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-diones-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl] o-propan-2-yl ethylphosphonodithioateEthylphosphonodithioic acid O-isopropyl S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] esterDTXSID80937082S-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O-(propan-2-yl) ethylphosphonodithioate
Database identifiers
- CAS
16537-51-2- PubChem CID
- 85483
- DTXSID
DTXSID80937082- Nikkaji
- J9.040I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 442.6 · 442.6±47.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- -2.6 · -2.60±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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