Basic information
- CAS
15863-65-7- Standard SMILES
COP(=S)(OC(C)C)SCN1C(=O)c2ccccc2C1=O- InChIKey
IGLNHDRBNYJMAY-UHFFFAOYSA-N- Molecular formula
- C13H16NO4PS2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.02583734
Names & identifiers
- Preferred name
- Ent 25867
- IUPAC
- 2-[[methoxy(propan-2-yloxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
- English name
- Dithiophosphoric acid S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]O-methyl O-(1-methylethyl) ester
- Molecular formula
- C13H16NO4PS2
- Molecular weight
- 345.37
Names & synonyms
Stauffer B-5725Stauffer R-5725-A15863-65-7ENT 25,867BRN 1489135R-5725-AENT 25867R 5725Phosphorodithioic acid, O-isopropyl O-methyl ester, S-ester with N-(mercaptomethyl)phthalimideS-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-methyl O-(1-methylethyl) phosphorodithioatePhosphorodithioic acid, S-((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-methyl O-(1-methylethyl) esterRefChem:339601
Show more names
R-5725Dithiophosphoric acid S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]O-methyl O-(1-methylethyl) esterPhosphorodithioic acid, S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] O-methyl O-(1-methylethyl) ester
2-[[methoxy(propan-2-yloxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dioneDTXSID60935960Dithiophosphoric acid S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]O-methyl O-(1-methylethyl) eS-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O-methyl O-(propan-2-yl) phosphorodithioateS-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O-methyl O-propan-2-yl phosphorodithioate
Database identifiers
- CAS
15863-65-7- PubChem CID
- 85148
- DTXSID
DTXSID60935960- Nikkaji
- J28.577C
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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