2-Isopropyl-4-(triphenylphosphonio)-1,3-oxazole-5-thiolate
Basic information
- CAS
324769-79-1- Standard SMILES
CC(C)c1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(S)o1- InChIKey
PVYXNTFBOZZALG-UHFFFAOYSA-O- Molecular formula
- C24H23NOPS+
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.12379753
Names & identifiers
- Preferred name
- 2-Isopropyl-4-(triphenylphosphonio)-1,3-oxazole-5-thiolate
- IUPAC
- triphenyl-(2-propan-2-yl-5-sulfanyl-1,3-oxazol-4-yl)phosphanium
- English name
- 2-propan-2-yl-4-triphenylphosphaniumyl-1,3-oxazole-5-thiolate
- Molecular formula
- C24H22NOPS
- Molecular weight
- 403.48
Names & synonyms
2-isopropyl-4-(triphenylphosphonio)-1,3-oxazole-5-thiolate2-propan-2-yl-4-triphenylphosphaniumyl-1,3-oxazole-5-thiolate
Database identifiers
- CAS
324769-79-1- PubChem CID
- 3769718
- EC Number
- 167-093-9
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 1
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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