5-[(Methylsulfanyl)methoxy]-3,4-dihydro-2H-pyrrol-2-one
Basic information
- CAS
54959-55-6- Standard SMILES
CSCOC1=NC(=O)CC1- InChIKey
AZJRYXGLFQSATF-UHFFFAOYSA-N- Molecular formula
- C6H9NO2S
- Average molar mass
- 159.21 g/mol
- Monoisotopic mass
- 159.0353997
Names & identifiers
- Preferred name
- 5-[(Methylsulfanyl)methoxy]-3,4-dihydro-2H-pyrrol-2-one
- IUPAC
- 5-(methylsulfanylmethoxy)-3,4-dihydropyrrol-2-one
Names & synonyms
54959-55-65-[(Methylsulfanyl)methoxy]-3,4-dihydro-2H-pyrrol-2-oneDTXSID20500017
Database identifiers
- CAS
54959-55-6- PubChem CID
- 12485437
- DTXSID
DTXSID20500017
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 167
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Compound notes
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