Basic information
- CAS
80383-01-3- Standard SMILES
O=C(CCc1ccsc1)CC(=O)N1CCOCC1- InChIKey
BBRATFPNLLNNEM-UHFFFAOYSA-N- Molecular formula
- C13H17NO3S
- Average molar mass
- 267.35 g/mol
- Monoisotopic mass
- 267.09291458
Names & identifiers
- Preferred name
- 1-(Morpholin-4-yl)-5-(thiophen-3-yl)pentane-1,3-dione
- IUPAC
- 1-morpholin-4-yl-5-thiophen-3-ylpentane-1,3-dione
Names & synonyms
80383-01-3SCHEMBL111743771-(Morpholin-4-yl)-5-(thiophen-3-yl)pentane-1,3-dioneDTXSID80521945
Database identifiers
- CAS
80383-01-3- PubChem CID
- 13147331
- DTXSID
DTXSID80521945
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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