Cas no 876-79-9 (8-fluoro-1h-cinnoline-4-thione)
876-79-9 structure
Product Name:8-fluoro-1h-cinnoline-4-thione
CAS No:876-79-9
MF:C8H5FN2S
MW:180.202103376389
CID:1908914
PubChem ID:3003808
Update Time:2025-04-21
8-fluoro-1h-cinnoline-4-thione Chemical and Physical Properties
Names and Identifiers
-
- 8-fluoro-1h-cinnoline-4-thione
- AG-H-53950
- 8-Fluor-4-mercapto-cinnolin
- CTK5F8887
- NCIOpen2_000901
- AC1MHFMI
- 8-Fluoro-4-cinnolinethiol
- NSC77847
- 4-Cinnolinethiol, 8-fluoro-
- DTXCID40159001
- H7XV7M3KVR
- DS-006050
- NSC 77847
- 8-fluorocinnoline-4-thiol
- 876-79-9
- 8-Fluoro-4-cinnolinyl hydrosulfide
- DTXSID10236510
- NSC-77847
-
- Inchi： 1S/C8H5FN2S/c9-6-3-1-2-5-7(12)4-10-11-8(5)6/h1-4H,(H,11,12)
- InChI Key： PSTBDCVCFOSTSQ-UHFFFAOYSA-N
- SMILES： S=C1C=NNC2C(=CC=CC=21)F
Computed Properties
- Exact Mass: 180.016
- Monoisotopic Mass: 180.016
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 229
- 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
- Topological Polar Surface Area: 56.5?2
Experimental Properties
- Density: 1.43
- Boiling Point: 295.6°C at 760 mmHg
- Flash Point: 132.6°C
- Refractive Index: 1.685
- PSA: 64.58000
- LogP: 2.05760
8-fluoro-1h-cinnoline-4-thione Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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