Cas no 1228600-43-8 ((2-amino-4-thiazolyl)cyclopropylmethanone)
1228600-43-8 structure
Product Name:(2-amino-4-thiazolyl)cyclopropylmethanone
CAS No:1228600-43-8
MF:C7H8N2OS
MW:168.216219902039
CID:2133015
Update Time:2023-11-19
(2-amino-4-thiazolyl)cyclopropylmethanone Chemical and Physical Properties
Names and Identifiers
-
- (2-amino-4-thiazolyl)cyclopropylMethanone
- 4-cyclopropanecarbonyl-1,3-thiazol-2-amine
- CID 126970974
- Methanone, (2-amino-4-thiazolyl)cyclopropyl-
- (2-amino-4-thiazolyl)cyclopropylmethanone
-
- Inchi： 1S/C7H8N2OS/c8-7-9-5(3-11-7)6(10)4-1-2-4/h3-4H,1-2H2,(H2,8,9)
- InChI Key： XAKRTDDVVPGXFL-UHFFFAOYSA-N
- SMILES： S1C(N)=NC(=C1)C(C1CC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 181
- Topological Polar Surface Area: 84.2
Experimental Properties
- Density: 1.459±0.06 g/cm3(Predicted)
- Boiling Point: 349.2±15.0 °C(Predicted)
- pka: 2.46±0.10(Predicted)
(2-amino-4-thiazolyl)cyclopropylmethanone Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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