Cas no 144867-14-1 (Ethanethioic acid,S-[2-(acetylcyanoamino)ethyl] ester)
![Ethanethioic acid,S-[2-(acetylcyanoamino)ethyl] ester structure](https://ossimg.kuujia.com/scimg/145000/144867-14-1x500.png)
144867-14-1 structure
Product Name:Ethanethioic acid,S-[2-(acetylcyanoamino)ethyl] ester
CAS No:144867-14-1
MF:C7H10N2O2S
MW:186.231500148773
CID:108912
PubChem ID:10954248
Update Time:2025-04-19
Ethanethioic acid,S-[2-(acetylcyanoamino)ethyl] ester Chemical and Physical Properties
Names and Identifiers
-
- Ethanethioic acid,S-[2-(acetylcyanoamino)ethyl] ester
- S-[2-[acetyl(cyano)amino]ethyl] ethanethioate
- DTXSID90449601
- 144867-14-1
- Ethanethioic acid, S-[2-(acetylcyanoamino)ethyl] ester
- S-{2-[Acetyl(cyano)amino]ethyl} ethanethioate
- InChI=1/C7H10N2O2S/c1-6(10)9(5-8)3-4-12-7(2)11/h3-4H2,1-2H
-
- Inchi： 1S/C7H10N2O2S/c1-6(10)9(5-8)3-4-12-7(2)11/h3-4H2,1-2H3
- InChI Key： RWSZAWLRIWCWEJ-UHFFFAOYSA-N
- SMILES： S(C(C)=O)CCN(C#N)C(C)=O
Computed Properties
- Exact Mass: 186.0464
- Monoisotopic Mass: 186.04629874g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 86.5?2
Experimental Properties
- PSA: 61.17
Ethanethioic acid,S-[2-(acetylcyanoamino)ethyl] ester Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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