Cas no 1249526-47-3 (Methyl 2-amino-4-chloro-1,3-thiazole-5-carboxylate)
1249526-47-3 structure
Product Name:Methyl 2-amino-4-chloro-1,3-thiazole-5-carboxylate
CAS No:1249526-47-3
MF:C5H5ClN2O2S
MW:192.623398542404
CID:4691201
Update Time:2023-08-15
Methyl 2-amino-4-chloro-1,3-thiazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- methyl 2-amino-4-chloro-1,3-thiazole-5-carboxylate
- Methyl 2-amino-4-chloro-1,3-thiazole-5-carboxylate
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- Inchi： 1S/C5H5ClN2O2S/c1-10-4(9)2-3(6)8-5(7)11-2/h1H3,(H2,7,8)
- InChI Key： KILKSDBUFGNOQL-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=O)OC)SC(N)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 169
- Topological Polar Surface Area: 93.4
Methyl 2-amino-4-chloro-1,3-thiazole-5-carboxylate Related Literature
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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