Cas no 105397-73-7 (4-Thiazoleacetic acid, 2-[(3-ethoxy-1,3-dioxopropyl)amino]-, ethyl ester)
![4-Thiazoleacetic acid, 2-[(3-ethoxy-1,3-dioxopropyl)amino]-, ethyl ester structure](https://ossimg.kuujia.com/scimg/105500/105397-73-7x500.png)
105397-73-7 structure
Product Name:4-Thiazoleacetic acid, 2-[(3-ethoxy-1,3-dioxopropyl)amino]-, ethyl ester
CAS No:105397-73-7
MF:C12H16N2O5S
MW:300.330842018127
CID:1153441
PubChem ID:13551146
Update Time:2025-04-20
4-Thiazoleacetic acid, 2-[(3-ethoxy-1,3-dioxopropyl)amino]-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazoleacetic acid, 2-[(3-ethoxy-1,3-dioxopropyl)amino]-, ethyl ester
- ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-3-oxopropanoate
- Ethyl 3-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino}-3-oxopropanoate
- 105397-73-7
- DTXSID10543579
-
- Inchi： 1S/C12H16N2O5S/c1-3-18-10(16)5-8-7-20-12(13-8)14-9(15)6-11(17)19-4-2/h7H,3-6H2,1-2H3,(H,13,14,15)
- InChI Key： QEFFYAJKTZWUFP-UHFFFAOYSA-N
- SMILES： S1C=C(CC(=O)OCC)N=C1NC(CC(=O)OCC)=O
Computed Properties
- Exact Mass: 300.07808
- Monoisotopic Mass: 300.07799279g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 9
- Complexity: 364
- 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: 1.6
- Topological Polar Surface Area: 123?2
Experimental Properties
- PSA: 94.59
4-Thiazoleacetic acid, 2-[(3-ethoxy-1,3-dioxopropyl)amino]-, ethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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