Cas no 62150-53-2 (2-Pyridinecarbothioamide, 4-bromo-)
62150-53-2 structure
Product Name:2-Pyridinecarbothioamide, 4-bromo-
CAS No:62150-53-2
MF:C6H5BrN2S
MW:217.086298704147
CID:456256
PubChem ID:71389398
Update Time:2025-04-19
2-Pyridinecarbothioamide, 4-bromo- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarbothioamide, 4-bromo-
- 4-bromopyridine-2-carbothioamide
- DTXSID50811401
- 62150-53-2
-
- Inchi： 1S/C6H5BrN2S/c7-4-1-2-9-5(3-4)6(8)10/h1-3H,(H2,8,10)
- InChI Key： QRGWIMLNJKMUJS-UHFFFAOYSA-N
- SMILES： BrC1C=CN=C(C(N)=S)C=1
Computed Properties
- Exact Mass: 215.93575
- Monoisotopic Mass: 215.93568g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 1.4
- Topological Polar Surface Area: 71?2
Experimental Properties
- PSA: 38.91
2-Pyridinecarbothioamide, 4-bromo- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
62150-53-2 (2-Pyridinecarbothioamide, 4-bromo-) Related Products
- 3731-51-9(1-(pyridin-2-yl)methanamine)
- 6627-60-7((6-Methylpyridin-2-yl)methanamine)
- 14222-60-7(Prothionamide)
- 175277-57-3(6-Methylthionicotinamide)
- 1539-42-0(Bis(2-pyridylmethyl)amine)
- 60148-13-2(2-(isocyanomethyl)pyridine)
- 129768-95-2(1-(4-methylpyridin-2-yl)methanamine)
- 101001-67-6(1H-Pyrrole-2-carbothioamide,1-(2-methylpropyl)-)
- 16225-37-9(4-methylpyridine-2-carbothioamide)
- 175277-51-7(5-(Trifluoromethyl)pyridine-2-thioamide)
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