Cas no 27115-79-3 (Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,5-dimethylphenyl)hydrazinylidene]-,ethyl ester)
![Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,5-dimethylphenyl)hydrazinylidene]-,ethyl ester structure](https://ossimg.kuujia.com/scimg/27500/27115-79-3x500.png)
27115-79-3 structure
Product Name:Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,5-dimethylphenyl)hydrazinylidene]-,ethyl ester
CAS No:27115-79-3
MF:C15H21N5O2S
MW:335.42454123497
CID:289260
PubChem ID:6413878
Update Time:2025-04-19
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,5-dimethylphenyl)hydrazinylidene]-,ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,5-dimethylphenyl)hydrazinylidene]-,ethyl ester
- ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2,5-dimethylphenyl)hydrazinylidene]butanoate
- 27115-79-3
- NSC-134638
- NSC134638
-
- Inchi： 1S/C15H21N5O2S/c1-5-22-14(21)13(11(4)17-20-15(16)23)19-18-12-8-9(2)6-7-10(12)3/h6-8,18H,5H2,1-4H3,(H3,16,20,23)/b17-11-,19-13-
- InChI Key： MQQJWTVEGWNRNX-VZVBKRDQSA-N
- SMILES： S=C(N)N/N=C(/C)\C(\C(=O)OCC)=N\NC1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 335.14183
- Monoisotopic Mass: 335.14159610g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 492
- 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-(2,5-dimethylphenyl)hydrazinylidene]-,ethyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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