Cas no 57248-11-0 (Methanone, (2,5-dibromo-3-thienyl)-2-thienyl-)
57248-11-0 structure
Product Name:Methanone, (2,5-dibromo-3-thienyl)-2-thienyl-
CAS No:57248-11-0
MF:C9H4Br2OS2
MW:352.065458297729
CID:346024
PubChem ID:43463823
Update Time:2025-04-19
Methanone, (2,5-dibromo-3-thienyl)-2-thienyl- Chemical and Physical Properties
Names and Identifiers
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- Methanone, (2,5-dibromo-3-thienyl)-2-thienyl-
- (2,5-dibromothiophen-3-yl)-thiophen-2-ylmethanone
- (2,5-Dibromothiophen-3-yl)(thiophen-2-yl)methanone
- DTXSID10656077
- 57248-11-0
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- Inchi： 1S/C9H4Br2OS2/c10-7-4-5(9(11)14-7)8(12)6-2-1-3-13-6/h1-4H
- InChI Key： PPYATKXTZQVZMU-UHFFFAOYSA-N
- SMILES： BrC1=C(C=C(S1)Br)C(C1=CC=CS1)=O
Computed Properties
- Exact Mass: 349.80702
- Monoisotopic Mass: 349.807
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 237
- 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
- Topological Polar Surface Area: 73.6A^2
- XLogP3: 5
Experimental Properties
- PSA: 17.07
Methanone, (2,5-dibromo-3-thienyl)-2-thienyl- Related Literature
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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