Cas no 428834-35-9 (2-Methoxy-2-oxoethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate)
428834-35-9 structure
Product Name:2-Methoxy-2-oxoethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
CAS No:428834-35-9
MF:C9H12N2O4S
MW:244.267580986023
CID:2638470
Update Time:2023-08-07
2-Methoxy-2-oxoethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- SMR000106610
- Oprea1_128675
- MLS000110681
- HMS2378L13
- HMS1674F03
- STL336573
- 2-methoxy-2-oxoethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
- 2-Methoxy-2-oxoethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate
-
- Inchi： 1S/C9H12N2O4S/c1-5-7(16-9(10-2)11-5)8(13)15-4-6(12)14-3/h4H2,1-3H3,(H,10,11)
- InChI Key： LNBLPQPGBNSWJS-UHFFFAOYSA-N
- SMILES： S1C(NC)=NC(C)=C1C(=O)OCC(=O)OC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 274
- Topological Polar Surface Area: 106
2-Methoxy-2-oxoethyl 4-methyl-2-(methylamino)-1,3-thiazole-5-carboxylate Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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