Cas no 62644-13-7 (Thiourea, N-(2-fluorophenyl)-N'-phenyl-)
62644-13-7 structure
Product Name:Thiourea, N-(2-fluorophenyl)-N'-phenyl-
CAS No:62644-13-7
MF:C13H11FN2S
MW:246.303244829178
CID:436659
PubChem ID:2884628
Update Time:2025-04-19
Thiourea, N-(2-fluorophenyl)-N'-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(2-fluorophenyl)-N'-phenyl-
- 1-(2-fluorophenyl)-3-phenylthiourea
- N-(2-fluorophenyl)-N'-phenylthiourea
- 3-(2-FLUOROPHENYL)-1-PHENYLTHIOUREA
- SR-01000406291-1
- AKOS001600692
- 62644-13-7
- SR-01000406291
- DTXSID80387240
-
- Inchi： 1S/C13H11FN2S/c14-11-8-4-5-9-12(11)16-13(17)15-10-6-2-1-3-7-10/h1-9H,(H2,15,16,17)
- InChI Key： WPQXHWHWOAYXJY-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1)NC1C=CC=CC=1F
Computed Properties
- Exact Mass: 246.06283
- Monoisotopic Mass: 246.06269769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 254
- 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: 2.9
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-(2-fluorophenyl)-N'-phenyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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