Basic information
- CAS
113591-54-1- Standard SMILES
CCCc1sc(C)cc1C- InChIKey
AIKMKEMIIQNNSI-UHFFFAOYSA-N- Molecular formula
- C9H14S
- Average molar mass
- 154.27 g/mol
- Monoisotopic mass
- 154.08162162
Names & identifiers
- Preferred name
- 3,5-Dimethyl-2-propylthiophene
- IUPAC
- 3,5-dimethyl-2-propylthiophene
Names & synonyms
3,5-dimethyl-2-propylthiophene113591-54-1Thiophene, 3,5-dimethyl-2-propylSCHEMBL13876287DTXSID20335982AIKMKEMIIQNNSI-UHFFFAOYSA-N
Database identifiers
- CAS
113591-54-1- PubChem CID
- 528254
- DTXSID
DTXSID20335982
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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