Cas no 141426-20-2 (1,2-Benzisothiazol-3(2H)-one, 2-heptyl-)
141426-20-2 structure
Product Name:1,2-Benzisothiazol-3(2H)-one, 2-heptyl-
CAS No:141426-20-2
MF:C14H19NOS
MW:249.371762514114
CID:1307032
PubChem ID:71343736
Update Time:2025-04-20
1,2-Benzisothiazol-3(2H)-one, 2-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3(2H)-one, 2-heptyl-
- 2-heptyl-1,2-benzothiazol-3-one
- SCHEMBL24327898
- 2-Heptyl-1,2-benzothiazol-3(2H)-one
- 141426-20-2
- 2-Heptyl-1,2-benzisothiazol-3(2H)-one
- DTXSID70770288
-
- Inchi： 1S/C14H19NOS/c1-2-3-4-5-8-11-15-14(16)12-9-6-7-10-13(12)17-15/h6-7,9-10H,2-5,8,11H2,1H3
- InChI Key： XWBDZKLLCPVLCM-UHFFFAOYSA-N
- SMILES： S1C2C=CC=CC=2C(N1CCCCCCC)=O
Computed Properties
- Exact Mass: 249.11887
- Monoisotopic Mass: 249.11873540g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 257
- 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: 4.3
- Topological Polar Surface Area: 45.6?2
Experimental Properties
- PSA: 20.31
1,2-Benzisothiazol-3(2H)-one, 2-heptyl- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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