Cas no 57248-34-7 (Methanone, bis(2,5-dibromo-3-thienyl)-)
57248-34-7 structure
Product Name:Methanone, bis(2,5-dibromo-3-thienyl)-
CAS No:57248-34-7
MF:C9H2Br4OS2
MW:509.857576847076
CID:346003
PubChem ID:21510485
Update Time:2025-04-19
Methanone, bis(2,5-dibromo-3-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, bis(2,5-dibromo-3-thienyl)-
- bis(2,5-dibromothiophen-3-yl)methanone
- 57248-34-7
- DTXSID30615343
- SCHEMBL11841036
-
- Inchi： 1S/C9H2Br4OS2/c10-5-1-3(8(12)15-5)7(14)4-2-6(11)16-9(4)13/h1-2H
- InChI Key： MCMRHLXLAHUDLC-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(S1)Br)C(C1=C(SC(=C1)Br)Br)=O
Computed Properties
- Exact Mass: 505.62796
- Monoisotopic Mass: 505.62806g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 265
- 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: 6.7
- Topological Polar Surface Area: 73.6?2
Experimental Properties
- PSA: 17.07
Methanone, bis(2,5-dibromo-3-thienyl)- Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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