Ethyl (ethylsulfanyl)(fluoro)acetate
Basic information
- CAS
106372-58-1- Standard SMILES
CCOC(=O)C(F)SCC- InChIKey
QDQASDKMOOKICK-UHFFFAOYSA-N- Molecular formula
- C6H11FO2S
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.04637893
Names & identifiers
- Preferred name
- Ethyl (ethylsulfanyl)(fluoro)acetate
- IUPAC
- ethyl 2-ethylsulfanyl-2-fluoroacetate
Names & synonyms
106372-58-1Ethyl (ethylsulfanyl)(fluoro)acetateDTXSID40544615AKOS017910679(R,S)-Ethylsulfanyl-fluoro-acetic acid ethyl ester
Database identifiers
- CAS
106372-58-1- PubChem CID
- 13594875
- DTXSID
DTXSID40544615- Nikkaji
- J433.938J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Experimental & physicochemical properties
SpringerMaterials Properties19F nuclear magnetic resonance spectrum
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Related reactions
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Compound notes
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