Cas no 62644-14-8 (Thiourea, N-(3-fluorophenyl)-N'-methyl-)
62644-14-8 structure
Product Name:Thiourea, N-(3-fluorophenyl)-N'-methyl-
CAS No:62644-14-8
MF:C8H9FN2S
MW:184.233863592148
CID:436658
PubChem ID:4337894
Update Time:2025-04-19
Thiourea, N-(3-fluorophenyl)-N'-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(3-fluorophenyl)-N'-methyl-
- 1-(3-FLUOROPHENYL)-3-METHYL-2-THIOUREA
- 1-(3-fluorophenyl)-3-methylthiourea
- AKOS003355730
- 62644-14-8
- SCHEMBL5443637
- DTXSID00402065
-
- Inchi： 1S/C8H9FN2S/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12)
- InChI Key： KBGFPBJKGWAOJR-UHFFFAOYSA-N
- SMILES： S=C(NC)NC1C=CC=C(C=1)F
Computed Properties
- Exact Mass: 184.04717
- Monoisotopic Mass: 184.04704763g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-(3-fluorophenyl)-N'-methyl- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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