Cas no 51707-59-6 (Urea, N-(4-methylphenyl)-N'-1,2,3-thiadiazol-5-yl-)
51707-59-6 structure
Product Name:Urea, N-(4-methylphenyl)-N'-1,2,3-thiadiazol-5-yl-
CAS No:51707-59-6
MF:C10H10N4OS
MW:234.277599811554
CID:361609
PubChem ID:13729973
Update Time:2025-04-19
Urea, N-(4-methylphenyl)-N'-1,2,3-thiadiazol-5-yl- Chemical and Physical Properties
Names and Identifiers
-
- Urea, N-(4-methylphenyl)-N'-1,2,3-thiadiazol-5-yl-
- 1-(4-methylphenyl)-3-(thiadiazol-5-yl)urea
- SCHEMBL8376067
- DTXSID30547812
- 51707-59-6
- N-(4-Methylphenyl)-N'-1,2,3-thiadiazol-5-ylurea
-
- Inchi： 1S/C10H10N4OS/c1-7-2-4-8(5-3-7)12-10(15)13-9-6-11-14-16-9/h2-6H,1H3,(H2,12,13,15)
- InChI Key： ULHNRIINZRNXJA-UHFFFAOYSA-N
- SMILES： S1C(=CN=N1)NC(NC1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 234.0577
- Monoisotopic Mass: 234.05753213g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 243
- 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: 1.7
- Topological Polar Surface Area: 95.2?2
Experimental Properties
- PSA: 66.91
Urea, N-(4-methylphenyl)-N'-1,2,3-thiadiazol-5-yl- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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