Cas no 123972-89-4 (Acetic acid, [(ethoxythioxomethyl)thio]-, methyl ester)
123972-89-4 structure
Product Name:Acetic acid, [(ethoxythioxomethyl)thio]-, methyl ester
CAS No:123972-89-4
MF:C6H10O3S2
MW:194.271799564362
CID:1215899
PubChem ID:14290017
Update Time:2025-04-20
Acetic acid, [(ethoxythioxomethyl)thio]-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, [(ethoxythioxomethyl)thio]-, methyl ester
- methyl 2-ethoxycarbothioylsulfanylacetate
- SCHEMBL13433476
- 123972-89-4
- Methyl [(ethoxycarbonothioyl)sulfanyl]acetate
- DTXSID10558502
-
- Inchi: 1S/C6H10O3S2/c1-3-9-6(10)11-4-5(7)8-2/h3-4H2,1-2H3
- InChI Key: TWFMBKXFIALJFI-UHFFFAOYSA-N
- SMILES: S(C(OCC)=S)CC(=O)OC
Computed Properties
- Exact Mass: 194.0072
- Monoisotopic Mass: 194.00713652g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 147
- 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: 1.9
- Topological Polar Surface Area: 92.9?2
Experimental Properties
- PSA: 35.53
Acetic acid, [(ethoxythioxomethyl)thio]-, methyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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