Basic information
- CAS
61541-95-5- Standard SMILES
CC(C)(C)c1ccc(SCC=CCOc2ccccc2)cc1- InChIKey
DZXNEIZGBMKUOL-UHFFFAOYSA-N- Molecular formula
- C20H24OS
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.15478656
Names & identifiers
- Preferred name
- Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-
- IUPAC
- 1-tert-butyl-4-(4-phenoxybut-2-enylsulfanyl)benzene
Names & synonyms
61541-95-5Benzene, 1-(1,1-dimethylethyl)-4-[(4-phenoxy-2-butenyl)thio]-DTXSID503047021-TERT-BUTYL-4-[(4-PHENOXYBUT-2-EN-1-YL)SULFANYL]BENZENE
Database identifiers
- CAS
61541-95-5- PubChem CID
- 296609
- DTXSID
DTXSID50304702
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 317
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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