Cas no 79443-10-0 (Ethanedione, bis(2-benzothiazolyl)-)
79443-10-0 structure
Product Name:Ethanedione, bis(2-benzothiazolyl)-
CAS No:79443-10-0
MF:C16H8N2O2S2
MW:324.376920700073
CID:532830
PubChem ID:12729875
Update Time:2025-04-19
Ethanedione, bis(2-benzothiazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanedione, bis(2-benzothiazolyl)-
- 1,2-bis(1,3-benzothiazol-2-yl)ethane-1,2-dione
- 79443-10-0
- DTXSID90508287
- Bis(1,3-benzothiazol-2-yl)ethane-1,2-dione
-
- Inchi： 1S/C16H8N2O2S2/c19-13(15-17-9-5-1-3-7-11(9)21-15)14(20)16-18-10-6-2-4-8-12(10)22-16/h1-8H
- InChI Key： FVKPEVIRWUVKJG-UHFFFAOYSA-N
- SMILES： S1C(C(C(C2=NC3C=CC=CC=3S2)=O)=O)=NC2C=CC=CC1=2
Computed Properties
- Exact Mass: 324.00271985g/mol
- Monoisotopic Mass: 324.00271985g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 431
- 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: 4.5
- Topological Polar Surface Area: 116?2
Ethanedione, bis(2-benzothiazolyl)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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