Cas no 887511-48-0 (2-Iodothiophene-3,4-dicarboxylic acid)
887511-48-0 structure
Product Name:2-Iodothiophene-3,4-dicarboxylic acid
CAS No:887511-48-0
MF:C6H3IO4S
MW:298.055093050003
CID:2168002
PubChem ID:70999332
Update Time:2025-04-21
2-Iodothiophene-3,4-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-Iodothiophene-3,4-dicarboxylic acid
- 887511-48-0
- SCHEMBL13814900
- DB-228144
-
- Inchi： 1S/C6H3IO4S/c7-4-3(6(10)11)2(1-12-4)5(8)9/h1H,(H,8,9)(H,10,11)
- InChI Key： NLEKRCASRMLBTN-UHFFFAOYSA-N
- SMILES： IC1=C(C(=O)O)C(C(=O)O)=CS1
Computed Properties
- Exact Mass: 297.87968Da
- Monoisotopic Mass: 297.87968Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 1.3
- Topological Polar Surface Area: 103?2
2-Iodothiophene-3,4-dicarboxylic acid Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
887511-48-0 (2-Iodothiophene-3,4-dicarboxylic acid) Related Products
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