Cas no 132411-95-1 (1-[2-(4,5-dioxo-3-phenyl-2-thioxoimidazolidin-1-yl)ethyl]piperazine-2,3-dione)
![1-[2-(4,5-dioxo-3-phenyl-2-thioxoimidazolidin-1-yl)ethyl]piperazine-2,3-dione structure](https://ossimg.kuujia.com/scimg/132500/132411-95-1x500.png)
132411-95-1 structure
Product Name:1-[2-(4,5-dioxo-3-phenyl-2-thioxoimidazolidin-1-yl)ethyl]piperazine-2,3-dione
CAS No:132411-95-1
MF:C15H14N4O4S
MW:346.361061573029
CID:1230735
PubChem ID:3076756
Update Time:2025-04-20
1-[2-(4,5-dioxo-3-phenyl-2-thioxoimidazolidin-1-yl)ethyl]piperazine-2,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-[2-(4,5-dioxo-3-phenyl-2-thioxoimidazolidin-1-yl)ethyl]piperazine-2,3-dione
- 1-[2-(4,5-dioxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]piperazine-2,3-dione
- 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)-
- DTXSID90157537
- 1-(2-(4,5-Dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)-2,3-piperazinedione
- 3-(beta-(2',3'-Diketopiperazine)ethylene)-1-phenyl-2-thioxo-4,5-imidazolidinedione
- 132411-95-1
-
- Inchi： 1S/C15H14N4O4S/c20-11-12(21)17(7-6-16-11)8-9-18-13(22)14(23)19(15(18)24)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,20)
- InChI Key： RCCXICKUXQFTMX-UHFFFAOYSA-N
- SMILES： S=C1N(C2C=CC=CC=2)C(C(N1CCN1C(C(NCC1)=O)=O)=O)=O
Computed Properties
- Exact Mass: 346.07372
- Monoisotopic Mass: 346.073576
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 602
- 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
- Topological Polar Surface Area: 122
- XLogP3: 0.6
Experimental Properties
- Density: 1.57
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.722
- PSA: 90.03
1-[2-(4,5-dioxo-3-phenyl-2-thioxoimidazolidin-1-yl)ethyl]piperazine-2,3-dione Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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