Cas no 119209-96-0 (Ethanone,1-(2-thietanyl)-)
Ethanone,1-(2-thietanyl)- structure
Product Name:Ethanone,1-(2-thietanyl)-
CAS No:119209-96-0
MF:C5H8OS
MW:116.181420326233
CID:132115
PubChem ID:526187
Update Time:2025-04-19
Ethanone,1-(2-thietanyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2-thietanyl)-
- Ethanone, 1-(2-thietanyl)- (9CI)
- 2-acetylthietane
- 1-(thietan-2-yl)ethan-1-one
- xi-2-Acetylthietane
- CHEBI:193951
- 1-(thietan-2-yl)ethanone
- LHLNSXFHEGETML-UHFFFAOYSA-N
- Ethanone,1-(2-thietanyl)-(9ci)
- 119209-96-0
-
- Inchi： 1S/C5H8OS/c1-4(6)5-2-3-7-5/h5H,2-3H2,1H3
- InChI Key： LHLNSXFHEGETML-UHFFFAOYSA-N
- SMILES： S1CCC1C(C)=O
Computed Properties
- Exact Mass: 116.02964
- Monoisotopic Mass: 116.02958605g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 90.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Ethanone,1-(2-thietanyl)- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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5. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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