Cas no 51039-85-1 (Thiourea, N,N'-bis(2-nitrophenyl)-)
51039-85-1 structure
Product Name:Thiourea, N,N'-bis(2-nitrophenyl)-
CAS No:51039-85-1
MF:C13H10N4O4S
MW:318.307900905609
CID:363537
PubChem ID:12607346
Update Time:2025-04-19
Thiourea, N,N'-bis(2-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N,N'-bis(2-nitrophenyl)-
- 1,3-bis(2-nitrophenyl)thiourea
- N,N'-Bis(2-nitrophenyl)thiourea
- 51039-85-1
- DTXSID20504217
-
- Inchi： 1S/C13H10N4O4S/c18-16(19)11-7-3-1-5-9(11)14-13(22)15-10-6-2-4-8-12(10)17(20)21/h1-8H,(H2,14,15,22)
- InChI Key： ZSBYEPFSRGCSLK-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1[N+](=O)[O-])NC1C=CC=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 318.0424
- Monoisotopic Mass: 318.04227599g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 399
- 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: 3.8
- Topological Polar Surface Area: 148?2
Experimental Properties
- PSA: 110.34
Thiourea, N,N'-bis(2-nitrophenyl)- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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