Basic information
- CAS
4861-62-5- Standard SMILES
CCCCc1ccc(CCC)s1- InChIKey
PHDIECZGRATECW-UHFFFAOYSA-N- Molecular formula
- C11H18S
- Average molar mass
- 182.33 g/mol
- Monoisotopic mass
- 182.11292175
Names & identifiers
- Preferred name
- 2-Butyl-5-propylthiophene
- IUPAC
- 2-butyl-5-propylthiophene
- English name
- 2-Butyl-5-propylthiophene
- Molecular formula
- C11H18S
- Molecular weight
- 182.33
Names & synonyms
2-Butyl-5-propylthiophene4861-62-5Thiophene, 2-butyl-5-propyl-2-Butyl-5-propylthiophene #SCHEMBL18626758PHDIECZGRATECW-UHFFFAOYSA-NDTXSID901312508
Database identifiers
- CAS
4861-62-5- PubChem CID
- 587446
- DTXSID
DTXSID901312508- Nikkaji
- J101.946E
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 112
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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