Cas no 13140-68-6 (Thiourea, N-(3-ethoxyphenyl)-N'-phenyl-)
13140-68-6 structure
Product Name:Thiourea, N-(3-ethoxyphenyl)-N'-phenyl-
CAS No:13140-68-6
MF:C15H16N2OS
MW:272.365342140198
CID:96767
PubChem ID:3249532
Update Time:2025-04-18
Thiourea, N-(3-ethoxyphenyl)-N'-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(3-ethoxyphenyl)-N'-phenyl-
- 1-(3-ethoxyphenyl)-3-phenylthiourea
- AKOS003495960
- 13140-68-6
- DTXSID80390638
-
- Inchi： 1S/C15H16N2OS/c1-2-18-14-10-6-9-13(11-14)17-15(19)16-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H2,16,17,19)
- InChI Key： BYWQFRDMKFVNPU-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1)NC1=CC=CC(=C1)OCC
Computed Properties
- Exact Mass: 272.09848
- Monoisotopic Mass: 272.09833431g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 279
- 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: 3.8
- Topological Polar Surface Area: 65.4?2
Experimental Properties
- PSA: 33.29
Thiourea, N-(3-ethoxyphenyl)-N'-phenyl- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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