Cas no 78797-08-7 (2-Pyridinecarbothioamide,6-formyl-)
78797-08-7 structure
Product Name:2-Pyridinecarbothioamide,6-formyl-
CAS No:78797-08-7
MF:C7H6N2OS
MW:166.200339794159
CID:573900
PubChem ID:3360377
Update Time:2025-04-19
2-Pyridinecarbothioamide,6-formyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarbothioamide,6-formyl-
- 6-formylpyridine-2-carbothioamide
- AC1MNXZD
- NSC308937
- NSC-308937
- DTXSID40391782
- 78797-08-7
-
- Inchi： 1S/C7H6N2OS/c8-7(11)6-3-1-2-5(4-10)9-6/h1-4H,(H2,8,11)
- InChI Key： HFKNJHXOPBOTFY-UHFFFAOYSA-N
- SMILES： S=C(C1C=CC=C(C=O)N=1)N
Computed Properties
- Exact Mass: 166.02018
- Monoisotopic Mass: 166.02008399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 172
- 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: 0.5
- Topological Polar Surface Area: 88.1?2
Experimental Properties
- PSA: 55.98
- LogP: 1.22860
2-Pyridinecarbothioamide,6-formyl- Related Literature
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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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
78797-08-7 (2-Pyridinecarbothioamide,6-formyl-) Related Products
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