5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-
Basic information
- CAS
117734-17-5- Standard SMILES
O=C1ON=C(c2ccccc2)C1=Cc1cccs1- InChIKey
IXRPGYBAKTZNEU-UHFFFAOYSA-N- Molecular formula
- C14H9NO2S
- Average molar mass
- 255.29 g/mol
- Monoisotopic mass
- 255.0353997
Names & identifiers
- Preferred name
- 5(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-
- IUPAC
- 3-phenyl-4-(thiophen-2-ylmethylidene)-1,2-oxazol-5-one
Names & synonyms
117734-17-55(4H)-Isoxazolone, 3-phenyl-4-(2-thienylmethylene)-, (Z)-DTXSID50350441RefChem:298044DTXCID403015083-phenyl-4-(thiophen-2-ylmethylene)isoxazol-5(4h)-one3-Phenyl-4-[(thiophen-2-yl)methylidene]-1,2-oxazol-5(4H)-one
Database identifiers
- CAS
117734-17-5- PubChem CID
- 679377
- DTXSID
DTXSID50350441
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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