Cas no 18336-03-3 (5-Butyl-1,2-benzothiazol-3(2H)-one)
18336-03-3 structure
Product Name:5-Butyl-1,2-benzothiazol-3(2H)-one
CAS No:18336-03-3
MF:C11H13NOS
MW:207.292021512985
CID:2783650
PubChem ID:19076694
Update Time:2025-04-21
5-Butyl-1,2-benzothiazol-3(2H)-one Chemical and Physical Properties
Names and Identifiers
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- 18336-03-3
- DTXSID20597841
- 5-Butyl-1,2-benzothiazol-3(2H)-one
- SCHEMBL6231819
-
- Inchi： 1S/C11H13NOS/c1-2-3-4-8-5-6-10-9(7-8)11(13)12-14-10/h5-7H,2-4H2,1H3,(H,12,13)
- InChI Key： FCGBNKBHSOFCMV-UHFFFAOYSA-N
- SMILES： S1C2C=CC(=CC=2C(N1)=O)CCCC
Computed Properties
- Exact Mass: 207.07178521Da
- Monoisotopic Mass: 207.07178521Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 219
- 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: 3.2
- Topological Polar Surface Area: 54.4?2
5-Butyl-1,2-benzothiazol-3(2H)-one Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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