Basic information
- CAS
13104-29-5- Standard SMILES
CCOP(=S)(OC)SCN1C(=O)c2ccccc2C1=O- InChIKey
KSJKSFPLERNFRY-UHFFFAOYSA-N- Molecular formula
- C12H14NO4PS2
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.01018727
Names & identifiers
- Preferred name
- Phosphorodithioic acid, S-((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-ethyl O-methyl ester
- IUPAC
- 2-[[ethoxy(methoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
- English name
- O-Ethyl O-methyl S-(1,3-dioxo-1H-isoindol-2(3H)-ylmethyl) =phosphorodithioate
- Molecular formula
- C12H14NO4PS2
- Molecular weight
- 331.347621
Names & synonyms
13104-29-5RefChem:1095449Phosphorodithioic acid, S-((1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-ethyl O-methyl esterS-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-ethyl O-methyl phosphorodithioateStauffer R-5723-AR 5723AENT 25,8652-[[ethoxy(methoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dioneBRN 1543474ENT 25865Phosphorodithioic acid, O-ethyl O-methyl ester, S-ester with N-(mercaptomethyl)phthalimides-[(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl] o-ethyl o-methyl phosphorodithioate
Show more names
R-5723AENT-25865Stauffer R-5723A
SCHEMBL13596981DTXSID50927051O-Ethyl O-methyl S-(1,3-dioxo-1H-isoindol-2(3H)-ylmethyl) =phosphorodithioate
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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