Cas no 62616-58-4 (Thiourea, N-(2-ethyl-4-methylphenyl)-N'-methyl-)
62616-58-4 structure
Product Name:Thiourea, N-(2-ethyl-4-methylphenyl)-N'-methyl-
CAS No:62616-58-4
MF:C11H16N2S
MW:208.323141098022
CID:438033
PubChem ID:20387449
Update Time:2025-04-19
Thiourea, N-(2-ethyl-4-methylphenyl)-N'-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(2-ethyl-4-methylphenyl)-N'-methyl-
- 1-(2-ethyl-4-methylphenyl)-3-methylthiourea
- N-(2-Ethyl-4-methylphenyl)-N'-methylthiourea
- DTXSID50606551
- SCHEMBL11513102
- 62616-58-4
-
- Inchi： 1S/C11H16N2S/c1-4-9-7-8(2)5-6-10(9)13-11(14)12-3/h5-7H,4H2,1-3H3,(H2,12,13,14)
- InChI Key： KXYXHYAWOISBRZ-UHFFFAOYSA-N
- SMILES： S=C(NC)NC1C=CC(C)=CC=1CC
Computed Properties
- Exact Mass: 208.10358
- Monoisotopic Mass: 208.10341969g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 194
- 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: 2.7
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-(2-ethyl-4-methylphenyl)-N'-methyl- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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