Basic information
- CAS
113591-53-0- Standard SMILES
CCc1cc(C)c(C)s1- InChIKey
WFOUEDZBEUPAPA-UHFFFAOYSA-N- Molecular formula
- C8H12S
- Average molar mass
- 140.25 g/mol
- Monoisotopic mass
- 140.06597156
Names & identifiers
- Preferred name
- 5-Ethyl-2,3-dimethylthiophene
- IUPAC
- 5-ethyl-2,3-dimethylthiophene
Names & synonyms
5-ethyl-2,3-dimethylthiophene113591-53-0Thiophene, 5-ethyl-2,3-dimethylSCHEMBL8416265WFOUEDZBEUPAPA-UHFFFAOYSA-NDTXSID701376867Thiophene, 5-ethyl-2,3-dimethyl-
Database identifiers
- CAS
113591-53-0- PubChem CID
- 528256
- DTXSID
DTXSID701376867- Nikkaji
- J1.310.464F
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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