Phosphorodithioic acid, O-methyl O-propyl ester, S-ester with N-(mercaptomethyl)phthalimide
Basic information
- CAS
19133-14-3- Standard SMILES
CCCOP(=S)(OC)SCN1C(=O)c2ccccc2C1=O- InChIKey
JKAXCKAQHGHTEN-UHFFFAOYSA-N- Molecular formula
- C13H16NO4PS2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.02583734
Names & identifiers
- Preferred name
- Phosphorodithioic acid, O-methyl O-propyl ester, S-ester with N-(mercaptomethyl)phthalimide
- IUPAC
- 2-[[methoxy(propoxy)phosphinothioyl]sulfanylmethyl]isoindole-1,3-dione
Names & synonyms
Stauffer R-5092-BBRN 1493170ENT 25,86319133-14-3R-5092-BS-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl) O-methyl O-propyl phosphorodithioatePhosphorodithioic acid, O-methyl O-propyl ester, S-ester with N-(mercaptomethyl)phthalimideRefChem:371185DTXSID90940729S-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O-methyl O-propyl phosphorodithioate
Database identifiers
- CAS
19133-14-3- PubChem CID
- 87936
- DTXSID
DTXSID90940729- Nikkaji
- J34.679I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
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Compound notes
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