Cas no 22019-45-0 (Thiourea,N-(2-aminophenyl)-N'-butyl-)
22019-45-0 structure
Product Name:Thiourea,N-(2-aminophenyl)-N'-butyl-
CAS No:22019-45-0
MF:C11H17N3S
MW:223.337780714035
CID:287052
PubChem ID:4306260
Update Time:2025-04-19
Thiourea,N-(2-aminophenyl)-N'-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea,N-(2-aminophenyl)-N'-butyl-
- 1-(2-aminophenyl)-3-butylthiourea
- 1-Butyl-3-(2-aminophenyl)-thioharnstoff
- AC1N7PP1
- N-(2-Aminophenyl)-N'-n-butylthioharnstoff
- NSC290537
- NSC-290537
- DTXSID00401770
- 22019-45-0
-
- Inchi： 1S/C11H17N3S/c1-2-3-8-13-11(15)14-10-7-5-4-6-9(10)12/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15)
- InChI Key： LWNSBMVRHNADIY-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1N)NCCCC
Computed Properties
- Exact Mass: 223.11451
- Monoisotopic Mass: 223.11431873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 196
- 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: 2.1
- Topological Polar Surface Area: 82.2?2
Experimental Properties
- PSA: 50.08
- LogP: 3.40040
Thiourea,N-(2-aminophenyl)-N'-butyl- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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