Basic information
- CAS
18853-26-4- Standard SMILES
COP(=S)(OC)Oc1cc(-c2ccccc2)on1- InChIKey
JVHAISKAWIKKGT-UHFFFAOYSA-N- Molecular formula
- C11H12NO4PS
- Average molar mass
- 285.26 g/mol
- Monoisotopic mass
- 285.02246604
Names & identifiers
- Preferred name
- Phosphorothioic acid, O,O-dimethyl O-(5-phenyl-3-isoxazolyl) ester
- IUPAC
- dimethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-λ5-phosphane
- English name
- DIMEX
- Molecular formula
- C11H12NO4PS
- Molecular weight
- 285.26
Names & synonyms
DimexMethyl isoxathion18853-26-4BRN 1131950Phosphorothioic acid, O,O-dimethyl O-(5-phenyl-3-isoxazolyl) esterO,O-Dimethyl O-(5-phenyl-3-isoxazolyl) phosphorothioateDTXSID00172211RefChem:371361DTXCID8094702SCHEMBL11302831JVHAISKAWIKKGT-UHFFFAOYSA-Ndimethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-lambda5-phosphane
Show more names
Thiophosphoric acid O,O-dimethyl O-(5-phenylisoxazol-3-yl) esterThiophosphoric acid O,O-dimethyl O-(5-phenyl-3-isoxazolyl) ester
O,O-dimethyl O-(5-phenyl-1,2-oxazol-3-yl) phosphorothioate
Database identifiers
- CAS
18853-26-4- PubChem CID
- 197971
- DTXSID
DTXSID00172211- Nikkaji
- J24.401E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 395.2 · 395.2±44.0 °C(Predicted)
- Density
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- pka
- -6.39 · -6.39±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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