1-(4,6-Dimethylpyrimidine-2-sulfinyl)-3-phenoxypropan-2-ol
Basic information
- CAS
5354-07-4- Standard SMILES
Cc1cc(C)nc(S(=O)CC(O)COc2ccccc2)n1- InChIKey
NZBOEDCCPGEQDU-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3S
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.10381361
Names & identifiers
- Preferred name
- 1-(4,6-Dimethylpyrimidine-2-sulfinyl)-3-phenoxypropan-2-ol
- IUPAC
- 1-(4,6-dimethylpyrimidin-2-yl)sulfinyl-3-phenoxypropan-2-ol
Names & synonyms
DTXSID503918795354-07-41-(4,6-Dimethylpyrimidine-2-sulfinyl)-3-phenoxypropan-2-olRefChem:224656DTXCID50342740CBMicro_019062Oprea1_237319CCG-7143BIM-0019145.P001SR-01000525928SR-01000525928-1
Database identifiers
- CAS
5354-07-4- PubChem CID
- 3368809
- DTXSID
DTXSID50391879
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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