Cas no 29979-85-9 (Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,3-dimethylphenyl)hydrazinylidene]-,ethyl ester)
![Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,3-dimethylphenyl)hydrazinylidene]-,ethyl ester structure](https://ossimg.kuujia.com/scimg/30000/29979-85-9x500.png)
29979-85-9 structure
Product Name:Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,3-dimethylphenyl)hydrazinylidene]-,ethyl ester
CAS No:29979-85-9
MF:C15H21N5O2S
MW:335.42454123497
CID:288032
PubChem ID:6413867
Update Time:2025-04-19
Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,3-dimethylphenyl)hydrazinylidene]-,ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-[2-(aminothioxomethyl)hydrazinylidene]-2-[2-(2,3-dimethylphenyl)hydrazinylidene]-,ethyl ester
- ethyl (2Z,3Z)-3-(carbamothioylhydrazinylidene)-2-[(2,3-dimethylphenyl)hydrazinylidene]butanoate
- 29979-85-9
- NSC134627
- NSC-134627
-
- Inchi： 1S/C15H21N5O2S/c1-5-22-14(21)13(11(4)17-20-15(16)23)19-18-12-8-6-7-9(2)10(12)3/h6-8,18H,5H2,1-4H3,(H3,16,20,23)/b17-11-,19-13-
- InChI Key： WJIWZDIOYVTVIV-VZVBKRDQSA-N
- SMILES： S=C(N)N/N=C(/C)\C(\C(=O)OCC)=N\NC1=CC=CC(C)=C1C
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-(2,3-dimethylphenyl)hydrazinylidene]-,ethyl ester Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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