Basic information
- CAS
19594-37-7- Standard SMILES
CCOC(=O)C(SP(=O)(OCC)OCC)C(=O)OCC- InChIKey
MGEGZTZZXITGDL-UHFFFAOYSA-N- Molecular formula
- C11H21O7PS
- Average molar mass
- 328.32 g/mol
- Monoisotopic mass
- 328.07456118
Names & identifiers
- Preferred name
- Malonic acid, mercapto-, S-ester with O,O-diethylphosphorothioate
- IUPAC
- diethyl 2-diethoxyphosphorylsulfanylpropanedioate
Names & synonyms
Malonate malaoxon19594-37-7MALONIC ACID, MERCAPTO-, S-ESTER with O,O-DIETHYLPHOSPHOROTHIOATEO,O-Diethyl(S-1-(1,1-dicarbethoxy)methyl) phosphorothiolatePhosphorothioic acid, O,O-diethyl S-(dicarbethoxy)methyl esterDTXSID30173256RefChem:351846DTXCID1095747Diethyl [(diethoxyphosphoryl)sulfanyl]propanedioate
Database identifiers
- CAS
19594-37-7- PubChem CID
- 29677
- DTXSID
DTXSID30173256- Nikkaji
- J28.590K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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