Cas no 922166-64-1 (2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-ethynyl-)
922166-64-1 structure
Product Name:2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-ethynyl-
CAS No:922166-64-1
MF:C15H20OS
MW:248.383703231812
CID:741872
PubChem ID:71421710
Update Time:2025-04-19
2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-ethynyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-ethynyl-
- 3,4-dibutyl-5-ethynylthiophene-2-carbaldehyde
- DTXSID30840759
- 922166-64-1
-
- Inchi： 1S/C15H20OS/c1-4-7-9-12-13(10-8-5-2)15(11-16)17-14(12)6-3/h3,11H,4-5,7-10H2,1-2H3
- InChI Key： HRNKIKHKVNPUNM-UHFFFAOYSA-N
- SMILES： S1C(C#C)=C(CCCC)C(=C1C=O)CCCC
Computed Properties
- Exact Mass: 248.12348643g/mol
- Monoisotopic Mass: 248.12348643g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 45.3?2
2-Thiophenecarboxaldehyde, 3,4-dibutyl-5-ethynyl- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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