Cas no 111782-25-3 (Thiourea, N-1-naphthalenyl-N'-(4-nitrophenyl)-)
111782-25-3 structure
Product Name:Thiourea, N-1-naphthalenyl-N'-(4-nitrophenyl)-
CAS No:111782-25-3
MF:C17H13N3O2S
MW:323.369022130966
CID:1199513
PubChem ID:20411647
Update Time:2025-04-20
Thiourea, N-1-naphthalenyl-N'-(4-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
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- Thiourea, N-1-naphthalenyl-N'-(4-nitrophenyl)-
- 1-naphthalen-1-yl-3-(4-nitrophenyl)thiourea
- N-Naphthalen-1-yl-N'-(4-nitrophenyl)thiourea
- AKOS003707111
- 111782-25-3
- DTXSID30606913
-
- Inchi： 1S/C17H13N3O2S/c21-20(22)14-10-8-13(9-11-14)18-17(23)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,18,19,23)
- InChI Key： GJDRSYLDJPWOMT-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC(=CC=1)[N+](=O)[O-])NC1=CC=CC2=CC=CC=C21
Computed Properties
- Exact Mass: 323.07299
- Monoisotopic Mass: 323.07284784g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 432
- 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: 102?2
Experimental Properties
- PSA: 67.2
Thiourea, N-1-naphthalenyl-N'-(4-nitrophenyl)- Related Literature
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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