Cas no 52190-34-8 (Cyclopentanone, 2-(methylthio)-)
52190-34-8 structure
Product Name:Cyclopentanone, 2-(methylthio)-
CAS No:52190-34-8
MF:C6H10OS
MW:130.208000659943
CID:360314
PubChem ID:12869523
Update Time:2025-04-19
Cyclopentanone, 2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanone, 2-(methylthio)-
- 2-methylsulfanylcyclopentan-1-one
- 52190-34-8
- 2-(Methylsulfanyl)cyclopentan-1-one
- 2-methylsulfanyl-cyclopentan-1-one
- 2-(methylsulfanyl)cyclopentanone
- DTXSID00511964
- AKOS010251644
- SCHEMBL11612291
-
- Inchi： 1S/C6H10OS/c1-8-6-4-2-3-5(6)7/h6H,2-4H2,1H3
- InChI Key： XDBLPTBEGIYJEJ-UHFFFAOYSA-N
- SMILES： S(C)C1C(CCC1)=O
Computed Properties
- Exact Mass: 130.0453
- Monoisotopic Mass: 130.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 101
- 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: 1.2
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Cyclopentanone, 2-(methylthio)- 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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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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