Basic information
- CAS
19594-34-4- Standard SMILES
CCOC(=O)CCC(SP(=S)(OCC)OCC)C(=O)OCC- InChIKey
AZCYCJZIXYBDLT-UHFFFAOYSA-N- Molecular formula
- C13H25O6PS2
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.08301786
Names & identifiers
- Preferred name
- alpha-Glutarate malathion
- IUPAC
- diethyl 2-diethoxyphosphinothioylsulfanylpentanedioate
- English name
- Phosphorodithioic acid O,O-diethyl S-[1,3-bis(ethoxycarbonyl)propyl] ester
- Molecular formula
- C13H25O6PS2
- Molecular weight
- 372.44
Names & synonyms
alpha-Glutarate malathion19594-34-4O,O-Diethyl (S-1-(1,3-dicarbethoxy)propyl) phosphorodithioatePhosphorodithioic acid, O,O-diethyl S-(1-(1,3-dicarbethoxy)propyl) esterRefChem:318409diethyl 2-diethoxyphosphinothioylsulfanylpentanedioatediethyl 2-[(diethoxyphosphorothioyl)sulfanyl]pentanedioatePhosphorodithioic acid O,O-diethyl S-[1,3-bis(ethoxycarbonyl)propyl] esterDTXSID60941364Pentanedioic acid, 2-[(diethoxyphosphinothioyl)thio]-, 1,5-diethyl ester
Database identifiers
- CAS
19594-34-4- PubChem CID
- 89189
- DTXSID
DTXSID60941364- Nikkaji
- J50.424F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 14
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 417.3 · 417.3±55.0 °C(Predicted)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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