Cas no 24647-80-1 (2-Thiophenecarboxylic acid, 3,4,5-tribromo-, methyl ester)
24647-80-1 structure
Product Name:2-Thiophenecarboxylic acid, 3,4,5-tribromo-, methyl ester
CAS No:24647-80-1
MF:C6H3Br3O2S
MW:378.863818407059
CID:1418789
PubChem ID:1024054
Update Time:2025-04-20
2-Thiophenecarboxylic acid, 3,4,5-tribromo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 3,4,5-tribromo-, methyl ester
- AI-942/25034100
- 24647-80-1
- SCHEMBL21612060
- methyl 3,4,5-tribromothiophene-2-carboxylate
-
- Inchi： 1S/C6H3Br3O2S/c1-11-6(10)4-2(7)3(8)5(9)12-4/h1H3
- InChI Key： DKJRFAFPCROFRG-UHFFFAOYSA-N
- SMILES： BrC1C(=C(SC=1C(=O)OC)Br)Br
Computed Properties
- Exact Mass: 375.74029
- Monoisotopic Mass: 375.74039g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 190
- 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: 4.2
- Topological Polar Surface Area: 54.5?2
Experimental Properties
- PSA: 26.3
2-Thiophenecarboxylic acid, 3,4,5-tribromo-, methyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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