Cas no 6667-66-9 (5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[4-(1-allyl-5-oxo-2-thioxo-4-imidazolidinyl)butyramido]-3-(hydroxymethyl)-8-oxo-,acetate (ester) (8CI))
![5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[4-(1-allyl-5-oxo-2-thioxo-4-imidazolidinyl)butyramido]-3-(hydroxymethyl)-8-oxo-,acetate (ester) (8CI) structure](https://ossimg.kuujia.com/scimg/7000/6667-66-9x500.png)
6667-66-9 structure
Product Name:5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[4-(1-allyl-5-oxo-2-thioxo-4-imidazolidinyl)butyramido]-3-(hydroxymethyl)-8-oxo-,acetate (ester) (8CI)
CAS No:6667-66-9
MF:C14H24O2
MW:224.339164733887
CID:519586
PubChem ID:334446
Update Time:2025-04-19
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[4-(1-allyl-5-oxo-2-thioxo-4-imidazolidinyl)butyramido]-3-(hydroxymethyl)-8-oxo-,acetate (ester) (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[4-(1-allyl-5-oxo-2-thioxo-4-imidazolidinyl)butyramido]-3-(hydroxymethyl)-8-oxo-,acetate (ester) (8CI)
- cyclododecen-1-yl acetate
- 6667-66-9
- DTXSID00319088
-
- Inchi： 1S/C14H24O2/c1-13(15)16-14-11-9-7-5-3-2-4-6-8-10-12-14/h11H,2-10,12H2,1H3
- InChI Key： MVDXLMZXIHINTD-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CCCCCCCCCCC1
Computed Properties
- Exact Mass: 224.17772
- Monoisotopic Mass: 224.17763
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 26.3
- XLogP3: 5
Experimental Properties
- Density: 0.94
- Boiling Point: 331.5°C at 760 mmHg
- Flash Point: 137.2°C
- Refractive Index: 1.471
- PSA: 26.3
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid,7-[4-(1-allyl-5-oxo-2-thioxo-4-imidazolidinyl)butyramido]-3-(hydroxymethyl)-8-oxo-,acetate (ester) (8CI) Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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5. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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