Cas no 832732-82-8 (1,3-Propanedione, 1,3-bis(5-bromo-4-hexyl-2-thienyl)-)
832732-82-8 structure
Product Name:1,3-Propanedione, 1,3-bis(5-bromo-4-hexyl-2-thienyl)-
CAS No:832732-82-8
MF:C23H30Br2O2S2
MW:562.421103000641
CID:674042
PubChem ID:71415778
Update Time:2025-04-19
1,3-Propanedione, 1,3-bis(5-bromo-4-hexyl-2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanedione, 1,3-bis(5-bromo-4-hexyl-2-thienyl)-
- 1,3-bis(5-bromo-4-hexylthiophen-2-yl)propane-1,3-dione
- DTXSID10835188
- 832732-82-8
-
- Inchi： 1S/C23H30Br2O2S2/c1-3-5-7-9-11-16-13-20(28-22(16)24)18(26)15-19(27)21-14-17(23(25)29-21)12-10-8-6-4-2/h13-14H,3-12,15H2,1-2H3
- InChI Key： YAPKHZLIDRZJNH-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(C(CC(C2=CC(=C(S2)Br)CCCCCC)=O)=O)S1)CCCCCC
Computed Properties
- Exact Mass: 562.00335g/mol
- Monoisotopic Mass: 560.00540g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 14
- Complexity: 473
- 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: 11.1
- Topological Polar Surface Area: 90.6?2
1,3-Propanedione, 1,3-bis(5-bromo-4-hexyl-2-thienyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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