Basic information
- CAS
19360-96-4- Standard SMILES
CC(=O)CCSCc1ccccc1- InChIKey
LWYISWGCSYCLRI-UHFFFAOYSA-N- Molecular formula
- C11H14OS
- Average molar mass
- 194.3 g/mol
- Monoisotopic mass
- 194.07653624
Names & identifiers
- Preferred name
- 4-(Benzylsulfanyl)butan-2-one
- IUPAC
- 4-benzylsulfanylbutan-2-one
Names & synonyms
4-(benzylsulfanyl)butan-2-one19360-96-4DTXSID10298239RefChem:288575DTXCID002493764-(Benzylthio)butan-2-oneNSC1218864-(benzylsulfanyl)-2-butanoneSCHEMBL5935700AKOS009029853NSC-121886EN300-394640
Database identifiers
- CAS
19360-96-4- PubChem CID
- 275201
- DTXSID
DTXSID10298239- Nikkaji
- J1.462.727H
Properties
Computed structural properties
- XLogP
- 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
- 150
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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