2-(2-Thienyl)-5-[5-(1-oxohexyl)-2-thienyl]thiophene
Basic information
- CAS
173198-21-5- Standard SMILES
CCCCCC(=O)c1ccc(-c2ccc(-c3cccs3)s2)s1- InChIKey
CPZOFTMOBKHNAU-UHFFFAOYSA-N- Molecular formula
- C18H18OS3
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.05197871
Names & identifiers
- Preferred name
- 2-(2-Thienyl)-5-[5-(1-oxohexyl)-2-thienyl]thiophene
- IUPAC
- 1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hexan-1-one
Names & synonyms
173198-21-52-(2-Thienyl)-5-[5-(1-oxohexyl)-2-thienyl]thiophene1-Hexanone, 1-[2,2':5',2''-terthiophen]-5-yl-DTXSID80347788CPZOFTMOBKHNAU-UHFFFAOYSA-N1-([1~2~,2~2~:2~5~,3~2~-Terthiophen]-1~5~-yl)hexan-1-one
Database identifiers
- CAS
173198-21-5- PubChem CID
- 625863
- DTXSID
DTXSID80347788
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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