Cas no 53305-91-2 (Thiourea, N-ethyl-N'-(3-iodophenyl)-)
53305-91-2 structure
Product Name:Thiourea, N-ethyl-N'-(3-iodophenyl)-
CAS No:53305-91-2
MF:C9H11IN2S
MW:306.166512727737
CID:357594
PubChem ID:12273790
Update Time:2025-04-19
Thiourea, N-ethyl-N'-(3-iodophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-ethyl-N'-(3-iodophenyl)-
- 1-ethyl-3-(3-iodophenyl)thiourea
- DTXSID10483562
- 53305-91-2
-
- Inchi： 1S/C9H11IN2S/c1-2-11-9(13)12-8-5-3-4-7(10)6-8/h3-6H,2H2,1H3,(H2,11,12,13)
- InChI Key： DYIYEORUDLSMPC-UHFFFAOYSA-N
- SMILES： IC1=CC=CC(=C1)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: 175
- 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: 3.4
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-ethyl-N'-(3-iodophenyl)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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