Basic information
- CAS
145386-30-7- Standard SMILES
CCCCSC(CC(=O)CC(SCCCC)c1ccccc1)c1ccccc1- InChIKey
WPXWGCFLQLUJPC-UHFFFAOYSA-N- Molecular formula
- C25H34OS2
- Average molar mass
- 414.7 g/mol
- Monoisotopic mass
- 414.20510805
Names & identifiers
- Preferred name
- 3-Pentanone, 1,5-bis(butylthio)-1,5-diphenyl-
- IUPAC
- 1,5-bis(butylsulfanyl)-1,5-diphenylpentan-3-one
Names & synonyms
3-Pentanone, 1,5-bis(butylthio)-1,5-diphenyl-145386-30-7DTXSID104695481,5-BIS(BUTYLSULFANYL)-1,5-DIPHENYLPENTAN-3-ONE
Database identifiers
- CAS
145386-30-7- PubChem CID
- 11618521
- DTXSID
DTXSID10469548
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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