Cas no 872823-63-7 (2-Mercapto-3-(3-methylphenyl)-3,5-dihydro-4H-imidazol-4-one)
872823-63-7 structure
Product Name:2-Mercapto-3-(3-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
CAS No:872823-63-7
MF:C10H10N2OS
MW:206.264200687408
CID:719499
Update Time:2023-08-03
2-Mercapto-3-(3-methylphenyl)-3,5-dihydro-4H-imidazol-4-one Chemical and Physical Properties
Names and Identifiers
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- 2-Imidazolidinone,1-(3-methylphenyl)-5-thioxo-
- Hydantoin, 2-thio-3-m-tolyl- (2CI)
- 3-(3-methylphenyl)-2-thioxoimidazolidin-4-one
- 1-(3-methylphenyl)-2-sulfanyl-4,5-dihydro-1H-imidazol-5-one
- 2-mercapto-3-(3-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
- 2-Thioxo-3-(m-tolyl)imidazolidin-4-one
- HMS1593E03
- STK298715
- NE24638
- ST45065269
- 3-(3-methylphenyl)-2-thioxo-4-imidazolidinone
- 4-Imidazolidinone, 3-(3-methylphenyl)-2-thioxo-
- 3-(3-methylphenyl)-2-thioxo-1,3-diazolidin-4-
- 2-Mercapto-3-(3-methylphenyl)-3,5-dihydro-4H-imidazol-4-one
-
- Inchi： 1S/C10H10N2OS/c1-7-3-2-4-8(5-7)12-9(13)6-11-10(12)14/h2-5H,6H2,1H3,(H,11,14)
- InChI Key： PYZUDYAABFWCBS-UHFFFAOYSA-N
- SMILES： S=C1NCC(N1C1C=CC=C(C)C=1)=O
Computed Properties
- Exact Mass: 206.051
- Monoisotopic Mass: 206.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 267
- 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: 64.4
2-Mercapto-3-(3-methylphenyl)-3,5-dihydro-4H-imidazol-4-one Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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