Cas no 53305-92-3 (Thiourea, N-ethyl-N'-(4-iodophenyl)-)
53305-92-3 structure
Product Name:Thiourea, N-ethyl-N'-(4-iodophenyl)-
CAS No:53305-92-3
MF:C9H11IN2S
MW:306.166512727737
CID:357593
PubChem ID:698341
Update Time:2025-04-19
Thiourea, N-ethyl-N'-(4-iodophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-ethyl-N'-(4-iodophenyl)-
- 1-ethyl-3-(4-iodophenyl)thiourea
- AKOS003443503
- SR-01000296354-1
- (ethylamino)[(4-iodophenyl)amino]methane-1-thione
- SR-01000296354
- 53305-92-3
- DTXSID10351353
- N-ethyl-N'-(4-iodophenyl)thiourea
-
- Inchi： 1S/C9H11IN2S/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13)
- InChI Key： ZCZCIHPLSZHJAN-UHFFFAOYSA-N
- SMILES： IC1C=CC(=CC=1)NC(NCC)=S
Computed Properties
- Exact Mass: 305.96843
- Monoisotopic Mass: 305.96877g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 167
- 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: 2.1
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-ethyl-N'-(4-iodophenyl)- Related Literature
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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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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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