Cas no 29783-73-1 (Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-(2-phenylhydrazinylidene)-, ethylester)
![Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-(2-phenylhydrazinylidene)-, ethylester structure](https://ossimg.kuujia.com/scimg/30000/29783-73-1x500.png)
29783-73-1 structure
Product Name:Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-(2-phenylhydrazinylidene)-, ethylester
CAS No:29783-73-1
MF:C13H17N5O2S
MW:307.371380567551
CID:284370
PubChem ID:6413781
Update Time:2025-04-19
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-(2-phenylhydrazinylidene)-, ethylester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-(2-phenylhydrazinylidene)-, ethylester
- NSC134646
- NSC-134646
- 29783-73-1
-
- Inchi： 1S/C13H17N5O2S/c1-3-20-12(19)11(9(2)15-18-13(14)21)17-16-10-7-5-4-6-8-10/h4-8,16H,3H2,1-2H3,(H3,14,18,21)/b15-9-,17-11-
- InChI Key： MWWUZDSDENCAHF-IVRZWDCSSA-N
- SMILES： S=C(N)N/N=C(/C)\C(\C(=O)OCC)=N\NC1C=CC=CC=1
Computed Properties
- Exact Mass: 307.11051
- Monoisotopic Mass: 307.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 430
- 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
- Topological Polar Surface Area: 133A^2
- XLogP3: 2.8
Experimental Properties
- Density: 1.282
- Boiling Point: 443.287°C at 760 mmHg
- Flash Point: 221.892°C
- Refractive Index: 1.611
- PSA: 101.1
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-(2-phenylhydrazinylidene)-, ethylester Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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