Cas no 62178-45-4 (Thiourea, N-(2-methoxyphenyl)-N'-(4-propoxyphenyl)-)
62178-45-4 structure
Product Name:Thiourea, N-(2-methoxyphenyl)-N'-(4-propoxyphenyl)-
CAS No:62178-45-4
MF:C17H20N2O2S
MW:316.417902946472
CID:455319
PubChem ID:71389063
Update Time:2025-04-19
Thiourea, N-(2-methoxyphenyl)-N'-(4-propoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- Thiourea, N-(2-methoxyphenyl)-N'-(4-propoxyphenyl)-
- 1-(2-methoxyphenyl)-3-(4-propoxyphenyl)thiourea
- N-(2-Methoxyphenyl)-N'-(4-propoxyphenyl)thiourea
- DTXSID30811101
- 62178-45-4
-
- Inchi： 1S/C17H20N2O2S/c1-3-12-21-14-10-8-13(9-11-14)18-17(22)19-15-6-4-5-7-16(15)20-2/h4-11H,3,12H2,1-2H3,(H2,18,19,22)
- InChI Key： WPCZOQUSHCOVMA-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1OC)NC1C=CC(=CC=1)OCCC
Computed Properties
- Exact Mass: 316.1247
- Monoisotopic Mass: 316.12454906g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 333
- 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: 3.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 42.52
Thiourea, N-(2-methoxyphenyl)-N'-(4-propoxyphenyl)- Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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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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