Cas no 886495-80-3 ( )
structure
Product Name:
CAS No:886495-80-3
MF:C9H7Cl2N3S
MW:260.142977952957
CID:868806
PubChem ID:7174064
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 4-(2,6-DICHLOROPHENYL)-2(3H)-THIAZOLONE HYDRAZONE
- DTXSID801263792
- 4-(2,6-Dichlorophenyl)-2-hydrazinylthiazole
- 886495-80-3
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- Inchi： 1S/C9H7Cl2N3S/c10-5-2-1-3-6(11)8(5)7-4-15-9(13-7)14-12/h1-4H,12H2,(H,13,14)
- InChI Key： XQBWTLBBHPFZPC-UHFFFAOYSA-N
- SMILES： ClC1C=CC=C(C=1C1=CSC(NN)=N1)Cl
Computed Properties
- Exact Mass: 258.9737738g/mol
- Monoisotopic Mass: 258.9737738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 210
- 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: 3.4
- Topological Polar Surface Area: 79.2?2
Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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