Cas no 90012-37-6 (1,2-Benzisothiazol-3(2H)-one,2-dodecyl-, 1,1-dioxide)
90012-37-6 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2-dodecyl-, 1,1-dioxide
CAS No:90012-37-6
MF:C19H29NO3S
MW:351.503464460373
CID:816412
PubChem ID:236561
Update Time:2025-04-19
1,2-Benzisothiazol-3(2H)-one,2-dodecyl-, 1,1-dioxide Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazol-3(2H)-one,2-dodecyl-, 1,1-dioxide
- 2-dodecyl-1,1-dioxo-1,2-benzothiazol-3-one
- NSC39144
- NSC-39144
- 2-Dodecyl-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
- 90012-37-6
- DTXSID10284819
-
- Inchi： 1S/C19H29NO3S/c1-2-3-4-5-6-7-8-9-10-13-16-20-19(21)17-14-11-12-15-18(17)24(20,22)23/h11-12,14-15H,2-10,13,16H2,1H3
- InChI Key： QZRDHYNWULQSSS-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(N1CCCCCCCCCCCC)=O)(=O)=O
Computed Properties
- Exact Mass: 351.187
- Monoisotopic Mass: 351.187
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 11
- Complexity: 483
- 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: 6.2
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- Density: 1.114
- Boiling Point: 484.4°Cat760mmHg
- Flash Point: 246.7°C
- Refractive Index: 1.532
1,2-Benzisothiazol-3(2H)-one,2-dodecyl-, 1,1-dioxide Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
90012-37-6 (1,2-Benzisothiazol-3(2H)-one,2-dodecyl-, 1,1-dioxide) Related Products
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