Cas no 4337-46-6 (1,2-BENZISOTHIAZOL-3(2H)-ONE, 5-METHYL-)
4337-46-6 structure
Product Name:1,2-BENZISOTHIAZOL-3(2H)-ONE, 5-METHYL-
CAS No:4337-46-6
MF:C8H7NOS
MW:165.212280511856
CID:3179856
PubChem ID:20299939
Update Time:2025-04-21
1,2-BENZISOTHIAZOL-3(2H)-ONE, 5-METHYL- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-BENZISOTHIAZOL-3(2H)-ONE, 5-METHYL-
- 5-Methylbenzisothiazol-3(2H)-one
- ZRZOBPWIGRCUKG-UHFFFAOYSA-N
- SCHEMBL3868022
- 5-Methylbenzo[d]isothiazol-3(2H)-one
- 4337-46-6
- 5-methyl-benzo[d]isothiazol-3-one
- SY295880
- SCHEMBL11443652
-
- Inchi： 1S/C8H7NOS/c1-5-2-3-7-6(4-5)8(10)9-11-7/h2-4H,1H3,(H,9,10)
- InChI Key： ZRZOBPWIGRCUKG-UHFFFAOYSA-N
- SMILES： S1C2C=CC(C)=CC=2C(N1)=O
Computed Properties
- Exact Mass: 165.02483502g/mol
- Monoisotopic Mass: 165.02483502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 183
- 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: 1.6
- Topological Polar Surface Area: 54.4?2
1,2-BENZISOTHIAZOL-3(2H)-ONE, 5-METHYL- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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