Cas no 65551-00-0 (1-(2-fluorophenyl)-3-(4-methylphenyl)thiourea)
65551-00-0 structure
Product Name:1-(2-fluorophenyl)-3-(4-methylphenyl)thiourea
CAS No:65551-00-0
MF:C14H13FN2S
MW:260.329825162888
CID:962076
PubChem ID:2730980
Update Time:2025-04-19
1-(2-fluorophenyl)-3-(4-methylphenyl)thiourea Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-fluorophenyl)-3-(4-methylphenyl)thiourea
- 1-o-Fluorphenyl-3-p-tolyl-2-thiocarbamid
- AC1MBTF3
- N-(2-fluorophenyl)-N'-(4-methylphenyl)thiourea
- NSC209003
- AKOS003706395
- 65551-00-0
- NSC-209003
- DTXSID90369658
- DS-007974
-
- Inchi： 1S/C14H13FN2S/c1-10-6-8-11(9-7-10)16-14(18)17-13-5-3-2-4-12(13)15/h2-9H,1H3,(H2,16,17,18)
- InChI Key： UYZWCIPVCWKQNX-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1F)NC1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 260.07849
- Monoisotopic Mass: 260.07834776g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 277
- 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: 3.3
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
- LogP: 4.08900
1-(2-fluorophenyl)-3-(4-methylphenyl)thiourea Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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