Basic information
- CAS
6306-17-8- Standard SMILES
CCCCSCC(=O)c1ccccc1- InChIKey
HCFDKQCIJODUNE-UHFFFAOYSA-N- Molecular formula
- C12H16OS
- Average molar mass
- 208.32 g/mol
- Monoisotopic mass
- 208.0921863
Names & identifiers
- Preferred name
- 2-(Butylsulfanyl)-1-phenylethan-1-one
- IUPAC
- 2-butylsulfanyl-1-phenylethanone
Names & synonyms
6306-17-82-(BUTYLSULFANYL)-1-PHENYLETHAN-1-ONENSC22964SCHEMBL87562442-butylthio-1-phenylethan-1-oneDTXSID40978996NSC-22964AKOS009987084ST51026017EN300-394311
Database identifiers
- CAS
6306-17-8- PubChem CID
- 229348
- DTXSID
DTXSID40978996- Nikkaji
- J3.266.571C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…