2-Isobutyl-5-propylthiophene
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Basic information
- CAS
4861-63-6- Standard SMILES
CCCc1ccc(CC(C)C)s1- InChIKey
XQFLEBIYNAYQLD-UHFFFAOYSA-N- Molecular formula
- C11H18S
- Average molar mass
- 182.33 g/mol
- Monoisotopic mass
- 182.11292175
Names & identifiers
- Preferred name
- 2-Isobutyl-5-propylthiophene
- IUPAC
- 2-(2-methylpropyl)-5-propylthiophene
- English name
- 2-Isobutyl-5-propylthiophene
- Molecular formula
- C11H18S
- Molecular weight
- 182.33
Names & synonyms
2-Isobutyl-5-propylthiophene4861-63-62-(2-methylpropyl)-5-propylthiopheneThiophene, 2-isobutyl-5-propyl-2-Isobutyl-5-propylthiophene #SCHEMBL20363460XQFLEBIYNAYQLD-UHFFFAOYSA-NDTXSID201376155Thiophene, 2-(2-methylpropyl)-5-propyl-
Database identifiers
- CAS
4861-63-6- PubChem CID
- 587499
- DTXSID
DTXSID201376155- Nikkaji
- J101.945G
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Boiling point
- 233.1 · 233.1±9.0 °C(Predicted)
- Density
- 0.937 · 0.937±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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