3-tert-Butylphenyl ethyl sulfide
Basic information
- CAS
88315-69-9- Standard SMILES
CCSc1cccc(C(C)(C)C)c1- InChIKey
DFQFAUDRFOYSQS-UHFFFAOYSA-N- Molecular formula
- C12H18S
- Average molar mass
- 194.34 g/mol
- Monoisotopic mass
- 194.11292175
Names & identifiers
- Preferred name
- 3-tert-Butylphenyl ethyl sulfide
- IUPAC
- 1-tert-butyl-3-ethylsulfanylbenzene
Names & synonyms
88315-69-93-tert-Butylphenyl ethyl sulfide1-tert-Butyl-3-(ethylsulfanyl)benzeneMFCD116177191-(1,1-Dimethylethyl)-3-(ethylthio)benzene1-tert-butyl-3-ethylsulfanylbenzeneBenzene, 1-(1,1-dimethylethyl)-3-(ethylthio)-DTXSID005309581-tert-butyl-3-ethylsulfanyl-benzeneAKOS006318445H69808F396663
Database identifiers
- CAS
88315-69-9- PubChem CID
- 13237367
- DTXSID
DTXSID00530958
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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