Cas no 61964-67-8 (Thiourea, N-(2-benzoylphenyl)-N'-(2-methylphenyl)-)
61964-67-8 structure
Product Name:Thiourea, N-(2-benzoylphenyl)-N'-(2-methylphenyl)-
CAS No:61964-67-8
MF:C21H18N2OS
MW:346.445423603058
CID:462123
PubChem ID:12307408
Update Time:2025-04-19
Thiourea, N-(2-benzoylphenyl)-N'-(2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(2-benzoylphenyl)-N'-(2-methylphenyl)-
- 1-(2-benzoylphenyl)-3-(2-methylphenyl)thiourea
- 61964-67-8
- DTXSID10486912
- AKOS003716115
-
- Inchi： 1S/C21H18N2OS/c1-15-9-5-7-13-18(15)22-21(25)23-19-14-8-6-12-17(19)20(24)16-10-3-2-4-11-16/h2-14H,1H3,(H2,22,23,25)
- InChI Key： DWGWUEJTPQTBPU-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1C)NC1=CC=CC=C1C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 346.11414
- Monoisotopic Mass: 346.11398438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 461
- 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: 5.3
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 41.13
Thiourea, N-(2-benzoylphenyl)-N'-(2-methylphenyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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