Basic information
- CAS
5826-91-5- Standard SMILES
CCCc1cc(OP(=S)(OCC)OCC)nc(C)n1- InChIKey
AOIYMCGAKDGVHS-UHFFFAOYSA-N- Molecular formula
- C12H21N2O3PS
- Average molar mass
- 304.35 g/mol
- Monoisotopic mass
- 304.10105071
Names & identifiers
- Preferred name
- AI 3-22820
- IUPAC
- diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
- English name
- Thiophosphoric acid O,O-diethyl O-(2-propyl-6-methylpyrimidin-4-yl) ester
- Molecular formula
- C12H21N2O3PS
- Molecular weight
- 304.35
Names & synonyms
PirazinonBRN 0256656Phosphorothioic acid, O,O-diethyl O-(2-propyl-4-methyl-6-pyrimidyl) esterDiethyl propylmethylpyrimidyl thiophosphateAI3-22820DTXSID40206988G-24622O,O-Diethyl-O-(2-n-propyl-4-methyl-pyrimidyl-6)phosphorothioateO,O-Diethyl-O-(2-propyl-4-methylpyrimidinyl-6) phosphorothioateAI 3-22820Phosphorothioic acid, O,O-diethyl O-(6-methyl-2-propyl-4-pyrimidinyl) ester4-23-00-02487 (Beilstein Handbook Reference)
Show more names
RefChem:317830DTXCID701294795826-91-5SCHEMBL29721170O,O-diethyl O-(2-methyl-6-propylpyrimidin-4-yl) phosphorothioateThiophosphoric acid O,O-diethyl O-(2-propyl-6-methylpyrimidin-4-yl) ester
Database identifiers
- CAS
5826-91-5- PubChem CID
- 22079
- DTXSID
DTXSID40206988
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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