Cas no 29979-84-8 (Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-bromophenyl)hydrazinylidene]-,ethyl ester)
![Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-bromophenyl)hydrazinylidene]-,ethyl ester structure](https://ossimg.kuujia.com/scimg/30000/29979-84-8x500.png)
29979-84-8 structure
Product Name:Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-bromophenyl)hydrazinylidene]-,ethyl ester
CAS No:29979-84-8
MF:C13H16BrN5O2S
MW:386.267439842224
CID:288761
PubChem ID:6413958
Update Time:2025-04-19
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-bromophenyl)hydrazinylidene]-,ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-bromophenyl)hydrazinylidene]-,ethyl ester
- ethyl (2Z,3Z)-2-[(2-bromophenyl)hydrazinylidene]-3-(carbamothioylhydrazinylidene)butanoate
- NSC-134644
- NSC134644
- 29979-84-8
-
- Inchi： 1S/C13H16BrN5O2S/c1-3-21-12(20)11(8(2)16-19-13(15)22)18-17-10-7-5-4-6-9(10)14/h4-7,17H,3H2,1-2H3,(H3,15,19,22)/b16-8-,18-11-
- InChI Key： YZIJOHPMMPQKDW-CXYAIBBISA-N
- SMILES： BrC1C=CC=CC=1N/N=C(\C(=O)OCC)/C(/C)=N\NC(N)=S
Computed Properties
- Exact Mass: 385.02098
- Monoisotopic Mass: 385.02081g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 7
- Complexity: 469
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.5
- Topological Polar Surface Area: 133?2
Experimental Properties
- PSA: 101.1
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2-bromophenyl)hydrazinylidene]-,ethyl ester Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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