Cas no 814255-83-9 (5-bromo-N-methyl-3-Thiophenecarboxamide)
814255-83-9 structure
Product Name:5-bromo-N-methyl-3-Thiophenecarboxamide
CAS No:814255-83-9
MF:C6H6BrNOS
MW:220.086939334869
CID:2135872
PubChem ID:40012441
Update Time:2025-04-21
5-bromo-N-methyl-3-Thiophenecarboxamide Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-N-methyl-3-Thiophenecarboxamide
- CHEMBL4561479
- AB00997085-01
- DA-37656
- SCHEMBL1750114
- AKOS009182685
- 5-bromo-N-methylthiophene-3-carboxamide
- 814255-83-9
- Z332659870
-
- Inchi： 1S/C6H6BrNOS/c1-8-6(9)4-2-5(7)10-3-4/h2-3H,1H3,(H,8,9)
- InChI Key： PODJNSZMZSXMOL-UHFFFAOYSA-N
- SMILES： BrC1=CC(=CS1)C(NC)=O
Computed Properties
- Exact Mass: 218.93535Da
- Monoisotopic Mass: 218.93535Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 142
- 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: 1.9
- Topological Polar Surface Area: 57.3?2
5-bromo-N-methyl-3-Thiophenecarboxamide Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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