Cas no 17564-90-8 (Ethanimidothioicacid, N-[[(dimethylamino)carbonyl]oxy]-, methyl ester)
![Ethanimidothioicacid, N-[[(dimethylamino)carbonyl]oxy]-, methyl ester structure](https://ossimg.kuujia.com/scimg/18000/17564-90-8x500.png)
17564-90-8 structure
Product Name:Ethanimidothioicacid, N-[[(dimethylamino)carbonyl]oxy]-, methyl ester
CAS No:17564-90-8
MF:C6H12N2O2S
MW:176.236680030823
CID:236764
PubChem ID:9577979
Update Time:2025-04-19
Ethanimidothioicacid, N-[[(dimethylamino)carbonyl]oxy]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanimidothioicacid, N-[[(dimethylamino)carbonyl]oxy]-, methyl ester
- LogP
- methyl (1Z)-N-(dimethylcarbamoyloxy)ethanimidothioate
- 17564-90-8
- Acetimidic acid, N-((dimethylcarbamoyl)oxy)thio-, methyl ester
-
- Inchi： 1S/C6H12N2O2S/c1-5(11-4)7-10-6(9)8(2)3/h1-4H3/b7-5-
- InChI Key： XNUBGHITXPWIPO-ALCCZGGFSA-N
- SMILES： S(C)/C(/C)=N\OC(N(C)C)=O
Computed Properties
- Exact Mass: 176.06206
- Monoisotopic Mass: 176.061948
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 67.2
Experimental Properties
- Density: 1.1
- Boiling Point: 225.6°Cat760mmHg
- Flash Point: 90.2°C
- Refractive Index: 1.496
- PSA: 41.9
Ethanimidothioicacid, N-[[(dimethylamino)carbonyl]oxy]-, methyl ester Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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