(2,2'-Bithiophene)-5-carboxylic acid, 5'-(1-propen-1-yl)-, ethyl ester
Basic information
- CAS
105125-04-0- Standard SMILES
CC#Cc1ccc(-c2ccc(C(=O)OCC)s2)s1- InChIKey
SWKIVJPAAHNECV-UHFFFAOYSA-N- Molecular formula
- C14H12O2S2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.02787197
Names & identifiers
- Preferred name
- (2,2'-Bithiophene)-5-carboxylic acid, 5'-(1-propen-1-yl)-, ethyl ester
- IUPAC
- ethyl 5-(5-prop-1-ynylthiophen-2-yl)thiophene-2-carboxylate
Names & synonyms
105125-04-0(2,2'-Bithiophene)-5-carboxylic acid, 5'-(1-propen-1-yl)-, ethyl esterETHYL 5'-(PROP-1-YN-1-YL)-[2,2'-BITHIOPHENE]-5-CARBOXYLATEDTXSID60146978ethyl 5-(5-prop-1-ynyl-2-thienyl)thiophene-2-carboxylateEthyl 5'-(prop-1-yn-1-yl)[2,2'-bithiophene]-5-carboxylateETHYL5'-(PROP-1-YN-1-YL)-[2,2'-BITHIOPHENE]-5-CARBOXYLATE
Database identifiers
- CAS
105125-04-0- PubChem CID
- 184444
- DTXSID
DTXSID60146978
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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