Cas no 62355-44-6 (Thiourea, N-phenyl-N'-(4-propoxyphenyl)-)
62355-44-6 structure
Product Name:Thiourea, N-phenyl-N'-(4-propoxyphenyl)-
CAS No:62355-44-6
MF:C16H18N2OS
MW:286.391922473907
CID:448072
PubChem ID:4942963
Update Time:2025-04-19
Thiourea, N-phenyl-N'-(4-propoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-phenyl-N'-(4-propoxyphenyl)-
- 1-phenyl-3-(4-propoxyphenyl)thiourea
- DTXSID10406872
- 62355-44-6
- AKOS003468919
-
- Inchi： 1S/C16H18N2OS/c1-2-12-19-15-10-8-14(9-11-15)18-16(20)17-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,17,18,20)
- InChI Key： HZTSCQWDPQDUCF-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1)NC1C=CC(=CC=1)OCCC
Computed Properties
- Exact Mass: 286.11414
- Monoisotopic Mass: 286.11398438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 284
- 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: 4.3
- Topological Polar Surface Area: 65.4?2
Experimental Properties
- PSA: 33.29
Thiourea, N-phenyl-N'-(4-propoxyphenyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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