Cas no 89730-28-9 (Cyclopentanone, 2-(propylthio)-)
89730-28-9 structure
Product Name:Cyclopentanone, 2-(propylthio)-
CAS No:89730-28-9
MF:C8H14OS
MW:158.261161327362
CID:591204
PubChem ID:13128892
Update Time:2025-04-19
Cyclopentanone, 2-(propylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanone, 2-(propylthio)-
- 2-propylsulfanylcyclopentan-1-one
- 89730-28-9
- AKOS009985389
- DTXSID30520428
- 2-(Propylsulfanyl)cyclopentan-1-one
-
- Inchi： 1S/C8H14OS/c1-2-6-10-8-5-3-4-7(8)9/h8H,2-6H2,1H3
- InChI Key： NMAYNRVXSDMDOH-UHFFFAOYSA-N
- SMILES： S(CCC)C1C(CCC1)=O
Computed Properties
- Exact Mass: 158.07653624g/mol
- Monoisotopic Mass: 158.07653624g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 122
- 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: 2.1
- Topological Polar Surface Area: 42.4?2
Cyclopentanone, 2-(propylthio)- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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