Cas no 326-25-0 ([1,4]Dioxino[2,3-f]benzothiazole(9CI))
![[1,4]Dioxino[2,3-f]benzothiazole(9CI) structure](https://ossimg.kuujia.com/scimg/500/326-25-0x500.png)
326-25-0 structure
Product Name:[1,4]Dioxino[2,3-f]benzothiazole(9CI)
CAS No:326-25-0
MF:C9H5NO2S
MW:191.206500768661
CID:293511
PubChem ID:53690662
Update Time:2025-04-19
[1,4]Dioxino[2,3-f]benzothiazole(9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1,4]Dioxino[2,3-f]benzothiazole(9CI)
- p-Dioxino[2,3-f]benzothiazole(8CI)
- [1,4]dioxino[2,3-f][1,3]benzothiazole
- 326-25-0
- DTXSID50705972
-
- Inchi： 1S/C9H5NO2S/c1-2-12-8-4-9-6(10-5-13-9)3-7(8)11-1/h1-5H
- InChI Key： BNAGRKSENNUAOZ-UHFFFAOYSA-N
- SMILES： S1C=NC2C=C3C(=CC1=2)OC=CO3
Computed Properties
- Exact Mass: 191.00415
- Monoisotopic Mass: 191.00409958g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 234
- 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: 59.6?2
Experimental Properties
- PSA: 31.35
[1,4]Dioxino[2,3-f]benzothiazole(9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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