Cas no 225242-15-9 ([1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile(9CI))
![[1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile(9CI) structure](https://ossimg.kuujia.com/scimg/225500/225242-15-9x500.png)
225242-15-9 structure
Product Name:[1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile(9CI)
CAS No:225242-15-9
MF:C10H4N2O2S
MW:216.215960502625
CID:244743
PubChem ID:10443289
Update Time:2025-04-19
[1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile(9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile(9CI)
- [1,4]dioxino[2,3-f][1,3]benzothiazole-2-carbonitrile
- DTXSID80439990
- 225242-15-9
- [1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile
-
- Inchi： 1S/C10H4N2O2S/c11-5-10-12-6-3-7-8(4-9(6)15-10)14-2-1-13-7/h1-4H
- InChI Key： XVXGUQJZXIGORR-UHFFFAOYSA-N
- SMILES： S1C(C#N)=NC2C=C3C(=CC1=2)OC=CO3
Computed Properties
- Exact Mass: 215.99942
- Monoisotopic Mass: 215.99934855g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 338
- 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: 2.1
- Topological Polar Surface Area: 83.4?2
Experimental Properties
- PSA: 55.14
[1,4]Dioxino[2,3-f]benzothiazole-2-carbonitrile(9CI) Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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