Cas no 61964-62-3 (Thiourea, N-(2-benzoylphenyl)-N'-phenyl-)
61964-62-3 structure
Product Name:Thiourea, N-(2-benzoylphenyl)-N'-phenyl-
CAS No:61964-62-3
MF:C20H16N2OS
MW:332.418843269348
CID:462128
PubChem ID:1122333
Update Time:2025-04-19
Thiourea, N-(2-benzoylphenyl)-N'-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(2-benzoylphenyl)-N'-phenyl-
- 1-(2-benzoylphenyl)-3-phenylthiourea
- Z45831712
- AKOS003716040
- Oprea1_233259
- N-(2-benzoylphenyl)-N'-phenylthiourea
- AB00119685-01
- DTXSID60360531
- 61964-62-3
-
- Inchi： 1S/C20H16N2OS/c23-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)22-20(24)21-16-11-5-2-6-12-16/h1-14H,(H2,21,22,24)
- InChI Key： XLIONEFSWFXXKA-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1)NC1=CC=CC=C1C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 332.09848
- Monoisotopic Mass: 332.098334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 427
- 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
- Surface Charge: 0
- XLogP3: 5
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 41.13
- LogP: 5
Thiourea, N-(2-benzoylphenyl)-N'-phenyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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