Basic information
- CAS
113591-58-5- Standard SMILES
CCCCCc1ccc(C)s1- InChIKey
SAQLTJYOYWUZSD-UHFFFAOYSA-N- Molecular formula
- C10H16S
- Average molar mass
- 168.3 g/mol
- Monoisotopic mass
- 168.09727168
Names & identifiers
- Preferred name
- 2-Methyl-5-pentylthiophene
- IUPAC
- 2-methyl-5-pentylthiophene
Names & synonyms
2-methyl-5-pentylthiopheneThiophene, 2-methyl-5-pentyl113591-58-5SCHEMBL9478846SCHEMBL9478855DTXSID60335981SAQLTJYOYWUZSD-UHFFFAOYSA-N
Database identifiers
- CAS
113591-58-5- PubChem CID
- 528253
- DTXSID
DTXSID60335981
Properties
Computed structural properties
- XLogP
- 4.3
- 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
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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