Basic information
- CAS
98559-21-8- Standard SMILES
CCc1sc(C)cc1C- InChIKey
XXLBZDCPBSGOJR-UHFFFAOYSA-N- Molecular formula
- C8H12S
- Average molar mass
- 140.25 g/mol
- Monoisotopic mass
- 140.06597156
Names & identifiers
- Preferred name
- 2-Ethyl-3,5-dimethylthiophene
- IUPAC
- 2-ethyl-3,5-dimethylthiophene
Names & synonyms
2-ethyl-3,5-dimethylthiopheneThiophene, 2-ethyl-3,5-dimethyl-98559-21-8Thiophene, 2-ethyl-3,5-dimethylSCHEMBL147108DTXSID00335980XXLBZDCPBSGOJR-UHFFFAOYSA-N
Database identifiers
- CAS
98559-21-8- PubChem CID
- 528249
- DTXSID
DTXSID00335980
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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