Cas no 27240-57-9 (Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester)
27240-57-9 structure
Product Name:Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester
CAS No:27240-57-9
MF:C9H16O3S2
MW:236.351540565491
CID:1429613
PubChem ID:10857462
Update Time:2025-04-20
Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester
- tert-butyl 2-ethoxycarbothioylsulfanylacetate
- 27240-57-9
- AT26049
- PUWFWBUIBGCOIP-UHFFFAOYSA-N
- O-ethyl S-(tert-butoxycarbonyl)methyl dithiocarbonate
- tert-Butyl [(ethoxycarbonothioyl)sulfanyl]acetate
- t-butyl 2-(ethoxycarbonothioylthio)acetate
- TERT-BUTYL 2-((ETHOXYCARBONOTHIOYL)THIO)ACETATE
- DTXSID40446125
- SCHEMBL2445178
-
- Inchi: 1S/C9H16O3S2/c1-5-11-8(13)14-6-7(10)12-9(2,3)4/h5-6H2,1-4H3
- InChI Key: PUWFWBUIBGCOIP-UHFFFAOYSA-N
- SMILES: S(C(OCC)=S)CC(=O)OC(C)(C)C
Computed Properties
- Exact Mass: 236.05418
- Monoisotopic Mass: 236.05408672g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 209
- 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: 2.9
- Topological Polar Surface Area: 92.9?2
Experimental Properties
- PSA: 35.53
Acetic acid, [(ethoxythioxomethyl)thio]-, 1,1-dimethylethyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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