Cas no 53844-49-8 (3,3'-Bithiophene, 2,2',4,4',5,5'-hexabromo-)
53844-49-8 structure
Product Name:3,3'-Bithiophene, 2,2',4,4',5,5'-hexabromo-
CAS No:53844-49-8
MF:C8Br6S2
MW:639.639595031738
CID:4027434
PubChem ID:12414666
Update Time:2025-04-22
3,3'-Bithiophene, 2,2',4,4',5,5'-hexabromo- Chemical and Physical Properties
Names and Identifiers
-
- 3,3'-Bithiophene, 2,2',4,4',5,5'-hexabromo-
- DTXSID201270577
- 53844-49-8
- 2,2a(2),4,4a(2),5,5a(2)-Hexabromo-3,3a(2)-bithiophene
- 2,2',4,4',5,5'-Hexabromo-3,3'-bithiophene
-
- Inchi： 1S/C8Br6S2/c9-3-1(5(11)15-7(3)13)2-4(10)8(14)16-6(2)12
- InChI Key： CAYIXVSICSMBRZ-UHFFFAOYSA-N
- SMILES： C1(Br)SC(Br)=C(Br)C=1C1C(Br)=C(Br)SC=1Br
Computed Properties
- Exact Mass: 639.44802Da
- Monoisotopic Mass: 633.45417Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 241
- 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: 8.4
- Topological Polar Surface Area: 56.5?2
3,3'-Bithiophene, 2,2',4,4',5,5'-hexabromo- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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