Cas no 1190320-85-4 (4,6-difluoro-1,3-benzothiazole)
1190320-85-4 structure
Product Name:4,6-difluoro-1,3-benzothiazole
CAS No:1190320-85-4
MF:C7H3F2NS
MW:171.1672270298
CID:855038
PubChem ID:53412779
Update Time:2025-04-19
4,6-difluoro-1,3-benzothiazole Chemical and Physical Properties
Names and Identifiers
-
- 4,6-difluoro-1,3-benzothiazole
- 1190320-85-4
- Benzothiazole, 4,6-difluoro-
- SCHEMBL22142676
- 4,6-DIFLUOROBENZOTHIAZOLE
- 4,6-Difluorobenzo[d]thiazole
- DTXSID401312408
-
- Inchi： 1S/C7H3F2NS/c8-4-1-5(9)7-6(2-4)11-3-10-7/h1-3H
- InChI Key： ULZYBRSOSIIFAE-UHFFFAOYSA-N
- SMILES： S1C=NC2C(=CC(=CC1=2)F)F
Computed Properties
- Exact Mass: 170.99542660g/mol
- Monoisotopic Mass: 170.99542660g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 155
- 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: 2.6
- Topological Polar Surface Area: 41.1?2
4,6-difluoro-1,3-benzothiazole Related Literature
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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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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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