Cas no 4299-06-3 (1,2-Benzisothiazol-3(2H)-one,2-ethyl-)
4299-06-3 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2-ethyl-
1,2-Benzisothiazol-3(2H)-one,2-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3(2H)-one,2-ethyl-
- BDBM50435393
- NCI60_003247
- 4299-06-3
- CHEMBL1996492
- NSC-357895
- SCHEMBL3143600
- NSC357895
- 2-ethyl-1,2-benzothiazol-3-one
- DTXSID90320320
-
- Inchi： 1S/C9H9NOS/c1-2-10-9(11)7-5-3-4-6-8(7)12-10/h3-6H,2H2,1H3
- InChI Key： RTMDCQYUXWCPQG-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(N1CC)=O
Computed Properties
- Exact Mass: 179.04057
- Monoisotopic Mass: 179.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 195
- 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: 1.8
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- Density: 1.252
- Boiling Point: 306.6°Cat760mmHg
- Flash Point: 139.3°C
- Refractive Index: 1.621
- PSA: 20.31
- LogP: 2.08290
1,2-Benzisothiazol-3(2H)-one,2-ethyl- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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