Cas no 62591-31-5 (5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, ethyl ester)
![5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, ethyl ester structure](https://ossimg.kuujia.com/scimg/63000/62591-31-5x500.png)
62591-31-5 structure
Product Name:5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, ethyl ester
CAS No:62591-31-5
MF:C9H12N2O4S
MW:244.267580986023
CID:438940
PubChem ID:12308583
Update Time:2025-04-19
5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, ethyl ester
- ethyl 4-(acetyloxymethyl)-2-amino-1,3-thiazole-5-carboxylate
- DTXSID90487200
- 62591-31-5
-
- Inchi： 1S/C9H12N2O4S/c1-3-14-8(13)7-6(4-15-5(2)12)11-9(10)16-7/h3-4H2,1-2H3,(H2,10,11)
- InChI Key： RZNXHFAXHGVPFN-UHFFFAOYSA-N
- SMILES： S1C(N)=NC(COC(C)=O)=C1C(=O)OCC
Computed Properties
- Exact Mass: 244.05186
- Monoisotopic Mass: 244.05177804g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 274
- 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: 0.9
- Topological Polar Surface Area: 120?2
Experimental Properties
- PSA: 91.51
5-Thiazolecarboxylic acid, 4-[(acetyloxy)methyl]-2-amino-, ethyl ester Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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