Cas no 51707-56-3 (Urea, N-(4-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl-)
51707-56-3 structure
Product Name:Urea, N-(4-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl-
CAS No:51707-56-3
MF:C9H7ClN4OS
MW:254.696078538895
CID:361612
PubChem ID:13729970
Update Time:2025-04-19
Urea, N-(4-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl- Chemical and Physical Properties
Names and Identifiers
-
- Urea, N-(4-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl-
- 1-(4-chlorophenyl)-3-(thiadiazol-5-yl)urea
- N-(4-Chlorophenyl)-N'-1,2,3-thiadiazol-5-ylurea
- DTXSID00547809
- SCHEMBL8374466
- 51707-56-3
-
- Inchi： 1S/C9H7ClN4OS/c10-6-1-3-7(4-2-6)12-9(15)13-8-5-11-14-16-8/h1-5H,(H2,12,13,15)
- InChI Key： KPNDFYCJSUOTGQ-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)NC(NC1=CN=NS1)=O
Computed Properties
- Exact Mass: 254.00311
- Monoisotopic Mass: 254.0029097g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 248
- 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: 95.2?2
Experimental Properties
- PSA: 66.91
Urea, N-(4-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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