Cas no 89055-45-8 (Acetaldehyde, [(3-oxobutyl)thio]-)
![Acetaldehyde, [(3-oxobutyl)thio]- structure](https://ossimg.kuujia.com/scimg/89500/89055-45-8x500.png)
89055-45-8 structure
Product Name:Acetaldehyde, [(3-oxobutyl)thio]-
CAS No:89055-45-8
MF:C6H10O2S
MW:146.207400798798
CID:614114
PubChem ID:54338756
Update Time:2025-04-19
Acetaldehyde, [(3-oxobutyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Acetaldehyde, [(3-oxobutyl)thio]-
- 2-(3-oxobutylsulfanyl)acetaldehyde
- [(3-Oxobutyl)sulfanyl]acetaldehyde
- DTXSID80710675
- 89055-45-8
- SCHEMBL10523645
-
- Inchi： 1S/C6H10O2S/c1-6(8)2-4-9-5-3-7/h3H,2,4-5H2,1H3
- InChI Key： TXKOCTAIFQAAPZ-UHFFFAOYSA-N
- SMILES： S(CC=O)CCC(C)=O
Computed Properties
- Exact Mass: 146.04015073g/mol
- Monoisotopic Mass: 146.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 101
- 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: 0.1
- Topological Polar Surface Area: 59.4?2
Acetaldehyde, [(3-oxobutyl)thio]- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
89055-45-8 (Acetaldehyde, [(3-oxobutyl)thio]-) Related Products
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