Cas no 60887-83-4 (Cyclopentanone, 2-(ethylthio)-)
60887-83-4 structure
Product Name:Cyclopentanone, 2-(ethylthio)-
CAS No:60887-83-4
MF:C7H12OS
MW:144.234580993652
CID:495056
PubChem ID:12869522
Update Time:2025-04-19
Cyclopentanone, 2-(ethylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanone, 2-(ethylthio)-
- 2-ethylsulfanylcyclopentan-1-one
-
- Inchi： 1S/C7H12OS/c1-2-9-7-5-3-4-6(7)8/h7H,2-5H2,1H3
- InChI Key： BCEGJAHJUNRERY-UHFFFAOYSA-N
- SMILES： S(CC)C1C(CCC1)=O
Computed Properties
- Exact Mass: 144.06096
- Monoisotopic Mass: 144.06088618g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 112
- 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: 1.5
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Cyclopentanone, 2-(ethylthio)- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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