Cas no 89390-13-6 (1,2-Benzisothiazol-3(2H)-one, 2-ethyl-, hydrochloride)
89390-13-6 structure
Product Name:1,2-Benzisothiazol-3(2H)-one, 2-ethyl-, hydrochloride
CAS No:89390-13-6
MF:C9H10ClNOS
MW:215.699800014496
CID:602455
PubChem ID:71323916
Update Time:2025-04-19
1,2-Benzisothiazol-3(2H)-one, 2-ethyl-, hydrochloride Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzisothiazol-3(2H)-one, 2-ethyl-, hydrochloride
- 2-ethyl-1,2-benzothiazol-3-one,hydrochloride
- 89390-13-6
- 2-Ethyl-1,2-benzothiazol-3(2H)-one--hydrogen chloride (1/1)
- DTXSID20753445
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- Inchi： 1S/C9H9NOS.ClH/c1-2-10-9(11)7-5-3-4-6-8(7)12-10;/h3-6H,2H2,1H3;1H
- InChI Key： WCZOKFSOUOBEJK-UHFFFAOYSA-N
- SMILES： Cl.S1C2C=CC=CC=2C(N1CC)=O
Computed Properties
- Exact Mass: 215.0171628g/mol
- Monoisotopic Mass: 215.0171628g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 195
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 45.6?2
1,2-Benzisothiazol-3(2H)-one, 2-ethyl-, hydrochloride Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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