Cas no 89182-75-2 (2(3H)-Isothiazolecarboxamide,3-oxo-)
89182-75-2 structure
Product Name:2(3H)-Isothiazolecarboxamide,3-oxo-
CAS No:89182-75-2
MF:C4H4N2O2S
MW:144.151759147644
CID:711296
Update Time:2024-11-26
2(3H)-Isothiazolecarboxamide,3-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2(3H)-Isothiazolecarboxamide,3-oxo-
- 2(3H)-Isothiazolecarboxamide,3-oxo-(9CI)
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- Inchi： 1S/C4H4N2O2S/c5-4(8)6-3(7)1-2-9-6/h1-2H,(H2,5,8)
- InChI Key： SFIRWTMKAWEABD-UHFFFAOYSA-N
- SMILES： S1C=CC(=O)N1C(N)=O
Computed Properties
- Exact Mass: 143.999
- Monoisotopic Mass: 143.999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 189
- 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: 88.7A^2
2(3H)-Isothiazolecarboxamide,3-oxo- Related Literature
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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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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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