o-Ethyl o-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl] hydrogen phosphorothioate
Basic information
- CAS
34223-87-5- Standard SMILES
CCOP(O)(=S)Oc1cc(C)nc(C(C)C)n1- InChIKey
RWGHFWDEKMEFHU-UHFFFAOYSA-N- Molecular formula
- C10H17N2O3PS
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.06975058
Names & identifiers
- Preferred name
- o-Ethyl o-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl] hydrogen phosphorothioate
- IUPAC
- ethoxy-hydroxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane
Names & synonyms
34223-87-5DesethyldiazinonO-Ethyl O-(2-isopropyl-6-methylpyrimidin-4-yl) O-hydrogen phosphorothioateo-ethyl o-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl] hydrogen phosphorothioateSCHEMBL9742159DTXSID30955771Phosphorothioic acid, O-ethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester
Database identifiers
- CAS
34223-87-5- PubChem CID
- 186178
- DTXSID
DTXSID30955771
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 291
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Compound notes
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