2-(2-Ethylbutyl)thiophene
Basic information
- CAS
5682-00-8- Standard SMILES
CCC(CC)Cc1cccs1- InChIKey
CCRBVFGPNZLFGA-UHFFFAOYSA-N- Molecular formula
- C10H16S
- Average molar mass
- 168.3 g/mol
- Monoisotopic mass
- 168.09727168
Names & identifiers
- Preferred name
- 2-(2-Ethylbutyl)thiophene
- IUPAC
- 2-(2-ethylbutyl)thiophene
- English name
- 2-(2-Ethylbutyl)thiophene
- Molecular formula
- C10H16S
- Molecular weight
- 168.3
Names & synonyms
2-(2-Ethylbutyl)thiopheneThiophene, 2-(2-ethylbutyl)-5682-00-82-(2-Ethylbutyl)thiophene #SCHEMBL2336430SCHEMBL19822079DTXSID80340658CCRBVFGPNZLFGA-UHFFFAOYSA-N
Database identifiers
- CAS
5682-00-8- PubChem CID
- 566342
- DTXSID
DTXSID80340658- Nikkaji
- J100.330E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 97
Physicochemical properties
- Boiling point
- 117 °C · 117 °C(Press: 21 Torr)
- Density
- 0.944 · 0.944±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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