3-(Ethylsulfanyl)-3-phenylpropanal
Basic information
- CAS
68195-05-1- Standard SMILES
CCSC(CC=O)c1ccccc1- InChIKey
QANIHGKBHHLIFV-UHFFFAOYSA-N- Molecular formula
- C11H14OS
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07653624
Names & identifiers
- Preferred name
- 3-(Ethylsulfanyl)-3-phenylpropanal
- IUPAC
- 3-ethylsulfanyl-3-phenylpropanal
Names & synonyms
3-(ethylsulfanyl)-3-phenylpropanal68195-05-1I(2)-(Ethylthio)benzenepropanalDTXSID101308682
Database identifiers
- CAS
68195-05-1- PubChem CID
- 12467720
- DTXSID
DTXSID101308682- Nikkaji
- J2.269.749H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 141
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Compound notes
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