Cas no 61964-63-4 (Thiourea, N-(2-benzoylphenyl)-N'-(3-methylphenyl)-)
61964-63-4 structure
Product Name:Thiourea, N-(2-benzoylphenyl)-N'-(3-methylphenyl)-
CAS No:61964-63-4
MF:C21H18N2OS
MW:346.445423603058
CID:462127
PubChem ID:12307406
Update Time:2025-04-19
Thiourea, N-(2-benzoylphenyl)-N'-(3-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Thiourea, N-(2-benzoylphenyl)-N'-(3-methylphenyl)-
- 1-(2-benzoylphenyl)-3-(3-methylphenyl)thiourea
- DTXSID90486910
- 61964-63-4
- AKOS003716077
-
- Inchi: 1S/C21H18N2OS/c1-15-8-7-11-17(14-15)22-21(25)23-19-13-6-5-12-18(19)20(24)16-9-3-2-4-10-16/h2-14H,1H3,(H2,22,23,25)
- InChI Key: UMHPSTBIMWASKY-UHFFFAOYSA-N
- SMILES: S=C(NC1=CC=CC(C)=C1)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'-(3-methylphenyl)- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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