Cas no 654069-99-5 (Benzothiazole, 6-(4-fluorophenyl)-)
654069-99-5 structure
Product Name:Benzothiazole, 6-(4-fluorophenyl)-
CAS No:654069-99-5
MF:C13H8FNS
MW:229.272725105286
CID:399356
PubChem ID:69855037
Update Time:2025-04-19
Benzothiazole, 6-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzothiazole, 6-(4-fluorophenyl)-
- 6-(4-fluorophenyl)-1,3-benzothiazole
- SCHEMBL6658073
- 654069-99-5
- DTXSID40741425
-
- Inchi： 1S/C13H8FNS/c14-11-4-1-9(2-5-11)10-3-6-12-13(7-10)16-8-15-12/h1-8H
- InChI Key： DBLHPYHQWIWVAS-UHFFFAOYSA-N
- SMILES： S1C=NC2=CC=C(C=C12)C1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 229.03624
- Monoisotopic Mass: 229.03614860g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 240
- 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: 4.1
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 12.89
Benzothiazole, 6-(4-fluorophenyl)- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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