Cas no 61628-55-5 (2-Pentanone, 3-(ethylthio)-4-methyl-)
61628-55-5 structure
Product Name:2-Pentanone, 3-(ethylthio)-4-methyl-
CAS No:61628-55-5
MF:C8H16OS
MW:160.277041435242
CID:472196
PubChem ID:12433231
Update Time:2025-04-19
2-Pentanone, 3-(ethylthio)-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentanone, 3-(ethylthio)-4-methyl-
- 3-ethylsulfanyl-4-methylpentan-2-one
- 61628-55-5
- 3-(Ethylsulfanyl)-4-methylpentan-2-one
- DTXSID10498095
-
- Inchi： 1S/C8H16OS/c1-5-10-8(6(2)3)7(4)9/h6,8H,5H2,1-4H3
- InChI Key： QBHLDJCYPXQRIH-UHFFFAOYSA-N
- SMILES： S(CC)C(C(C)=O)C(C)C
Computed Properties
- Exact Mass: 160.09228
- Monoisotopic Mass: 160.09218630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 110
- 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: 2.4
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
2-Pentanone, 3-(ethylthio)-4-methyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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