Cas no 62616-59-5 (Thiourea, N-[4-(1,1-dimethylethyl)-2-methylphenyl]-N'-methyl-)
62616-59-5 structure
Product Name:Thiourea, N-[4-(1,1-dimethylethyl)-2-methylphenyl]-N'-methyl-
CAS No:62616-59-5
MF:C13H20N2S
MW:236.376301765442
CID:438032
PubChem ID:71384592
Update Time:2025-04-19
Thiourea, N-[4-(1,1-dimethylethyl)-2-methylphenyl]-N'-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-[4-(1,1-dimethylethyl)-2-methylphenyl]-N'-methyl-
- 1-(4-tert-butyl-2-methylphenyl)-3-methylthiourea
- N-(4-tert-Butyl-2-methylphenyl)-N'-methylthiourea
- 62616-59-5
- DTXSID80806845
-
- Inchi: 1S/C13H20N2S/c1-9-8-10(13(2,3)4)6-7-11(9)15-12(16)14-5/h6-8H,1-5H3,(H2,14,15,16)
- InChI Key: HNQBJYZAEISEFZ-UHFFFAOYSA-N
- SMILES: S=C(NC)NC1C=CC(=CC=1C)C(C)(C)C
Computed Properties
- Exact Mass: 236.1349
- Monoisotopic Mass: 236.13471982g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 245
- 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: 3.2
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-[4-(1,1-dimethylethyl)-2-methylphenyl]-N'-methyl- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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