Ent 25737
Basic information
- CAS
333-40-4- Standard SMILES
CCOP(=S)(OCC)Sc1nc(C)cc(C)n1- InChIKey
XAXZWQJVIDHWCT-UHFFFAOYSA-N- Molecular formula
- C10H17N2O2PS2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.04690713
Names & identifiers
- Preferred name
- Ent 25737
- IUPAC
- (4,6-dimethylpyrimidin-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
- English name
- S-(4,6-Dimethyl-2-pyrimidinyl)O,O-diethylphosphorodithio.
- Molecular formula
- C10H17N2O2PS2
- Molecular weight
- 292.357941
Names & synonyms
O,O-Diethyl S-(4,6-dimethyl-2-pyrimidyl) dithiophosphateUNII-7IAF192GFL7IAF192GFLR 3413ENT 25,737BRN 0887426ENT 25737ENT-25737DTXSID2042228S-(4,6-Dimethyl-2-pyrimidinyl) O,O-diethyl phosphorodithioateS-(4,6-Dimethyl-2-pyrimidinyl)O,O-diethyl phosphorodithioateR-3413
Show more names
S-(4,6-Dimethyl-2-pyrimidinyl)O,O-diethylphosphorodithio.Dithiophosphoric acid O,O-diethyl S-(4,6-dimethyl-2-pyrimidinyl) ester
Phosphorodithioic acid, S-(4,6-dimethyl-2-pyrimidinyl) O,O-diethyl esterDIETHYL S-(4,6-DIMETHYL-2-PYRIMIDINYL) PHOSPHORODITHIOATE, O,O-RefChem:200782DTXCID0022228Stauffer R-3413333-40-4s-(4,6-dimethylpyrimidin-2-yl) o,o-diethyl phosphorodithioateSCHEMBL5933987
Database identifiers
- CAS
333-40-4- PubChem CID
- 67626
- DTXSID
DTXSID2042228- UNII
- 7IAF192GFL
- Nikkaji
- J96.884F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- FDA UNII
- 7 IAF192GFL · 7IAF192GFL
- EPA Substance Registry System
- O,O-Diethyl S-(4,6-dimethyl-2-pyrimidyl) dithiophosphate (333-40-4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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