Basic information
- CAS
22243-91-0- Standard SMILES
COP(C)(=S)SCN1C(=O)c2ccccc2C1=O- InChIKey
PDPLQAYBEGIJJF-UHFFFAOYSA-N- Molecular formula
- C11H12NO3PS2
- Average molar mass
- 301.3 g/mol
- Monoisotopic mass
- 300.99962259
Names & identifiers
- Preferred name
- Phosphonodithioic acid, methyl-, O-methyl ester, S-ester with N-(mercaptomethyl)phthalimide
- IUPAC
- 2-[[methoxy(methyl)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
- English name
- Methylphosphonodithioic acid S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]O-methyl ester
- Molecular weight
- 0
Names & synonyms
BRN 1476381O-Methyl-S-(phthalimidomethyl)-methylphosphonodithioate22243-91-0N-(Mercaptomethyl)phthalimide-S-(O-methyl)-methylphosphonodithioatePhosphonodithioic acid, methyl-, O-methyl ester, S-ester with N-(mercaptomethyl)phthalimideRefChem:370694DTXSID80944897Methylphosphonodithioic acid S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]O-methyl esterS-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O-methyl methylphosphonodithioate
Database identifiers
- CAS
22243-91-0- PubChem CID
- 89635
- DTXSID
DTXSID80944897- Nikkaji
- J50.328B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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