Cas no 823219-06-3 (Thiourea, N,N''-1,2-phenylenebis[N'-(4-chlorophenyl)-)
823219-06-3 structure
Product Name:Thiourea, N,N''-1,2-phenylenebis[N'-(4-chlorophenyl)-
CAS No:823219-06-3
MF:C20H16Cl2N4S2
MW:447.403839111328
CID:694514
PubChem ID:71419300
Update Time:2025-04-19
Thiourea, N,N''-1,2-phenylenebis[N'-(4-chlorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-chlorophenyl)-3-[2-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
- N,N'-1,2-Phenylenebis[N'-(4-chlorophenyl)(thiourea)]
- 823219-06-3
- DTXSID00838567
- Thiourea, N,N''-1,2-phenylenebis[N'-(4-chlorophenyl)-
-
- Inchi： 1S/C20H16Cl2N4S2/c21-13-5-9-15(10-6-13)23-19(27)25-17-3-1-2-4-18(17)26-20(28)24-16-11-7-14(22)8-12-16/h1-12H,(H2,23,25,27)(H2,24,26,28)
- InChI Key： KZTKXFKVWFMRCR-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)NC(NC1=CC=CC=C1NC(NC1C=CC(=CC=1)Cl)=S)=S
Computed Properties
- Exact Mass: 446.0193443g/mol
- Monoisotopic Mass: 446.0193443g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 474
- 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: 5.5
- Topological Polar Surface Area: 112?2
Thiourea, N,N''-1,2-phenylenebis[N'-(4-chlorophenyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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