Cas no 51707-58-5 (Urea, N-(3-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl-)
51707-58-5 structure
Product Name:Urea, N-(3-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl-
CAS No:51707-58-5
MF:C9H7ClN4OS
MW:254.696078538895
CID:361610
PubChem ID:13729972
Update Time:2025-04-19
Urea, N-(3-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl- Chemical and Physical Properties
Names and Identifiers
-
- Urea, N-(3-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl-
- 1-(3-chlorophenyl)-3-(thiadiazol-5-yl)urea
- N-(3-Chlorophenyl)-N'-1,2,3-thiadiazol-5-ylurea
- 51707-58-5
- DTXSID70547811
- SCHEMBL11349117
-
- Inchi： 1S/C9H7ClN4OS/c10-6-2-1-3-7(4-6)12-9(15)13-8-5-11-14-16-8/h1-5H,(H2,12,13,15)
- InChI Key： AWLHKUPWFTWKCQ-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)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: 256
- 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-(3-chlorophenyl)-N'-1,2,3-thiadiazol-5-yl- Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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