Cas no 87976-12-3 (4-Imidazolidinone, 5,5-dimethyl-1,3-diphenyl-2-thioxo-)
87976-12-3 structure
Product Name:4-Imidazolidinone, 5,5-dimethyl-1,3-diphenyl-2-thioxo-
CAS No:87976-12-3
MF:C17H16N2OS
MW:296.386742591858
CID:649737
PubChem ID:13126401
Update Time:2025-04-19
4-Imidazolidinone, 5,5-dimethyl-1,3-diphenyl-2-thioxo- Chemical and Physical Properties
Names and Identifiers
-
- 4-Imidazolidinone, 5,5-dimethyl-1,3-diphenyl-2-thioxo-
- 5,5-dimethyl-1,3-diphenyl-2-sulfanylideneimidazolidin-4-one
- DTXSID30520029
- 87976-12-3
-
- Inchi： 1S/C17H16N2OS/c1-17(2)15(20)18(13-9-5-3-6-10-13)16(21)19(17)14-11-7-4-8-12-14/h3-12H,1-2H3
- InChI Key： HPLSPWJONRLBRC-UHFFFAOYSA-N
- SMILES： S=C1N(C2C=CC=CC=2)C(C(C)(C)N1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 296.09833431g/mol
- Monoisotopic Mass: 296.09833431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 423
- 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: 3.6
- Topological Polar Surface Area: 55.6?2
4-Imidazolidinone, 5,5-dimethyl-1,3-diphenyl-2-thioxo- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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