Cas no 61449-56-7 (Thiourea, N-ethyl-N'-(4-fluorophenyl)-)
61449-56-7 structure
Product Name:Thiourea, N-ethyl-N'-(4-fluorophenyl)-
CAS No:61449-56-7
MF:C9H11FN2S
MW:198.260443925858
CID:478918
PubChem ID:698342
Update Time:2025-04-19
Thiourea, N-ethyl-N'-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-ethyl-N'-(4-fluorophenyl)-
- 1-ethyl-3-(4-fluorophenyl)thiourea
- 61449-56-7
- (ethylamino)[(4-fluorophenyl)amino]methane-1-thione
- HMS1538N16
- TimTec1_001710
- AKOS003270989
- XRVNUUHZOBJAQT-UHFFFAOYSA-N
- NCGC00174144-01
- N-ethyl-N'-(4-fluorophenyl) thiourea
- DTXSID70351354
- SCHEMBL6096417
-
- Inchi： 1S/C9H11FN2S/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13)
- InChI Key： XRVNUUHZOBJAQT-UHFFFAOYSA-N
- SMILES： S=C(NCC)NC1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 198.06283
- Monoisotopic Mass: 198.06269769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 167
- 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: 1.5
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-ethyl-N'-(4-fluorophenyl)- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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