Cas no 88319-99-7 (2(5H)-Furanone, 5-hexyl-3-(methylthio)-)
88319-99-7 structure
Product Name:2(5H)-Furanone, 5-hexyl-3-(methylthio)-
CAS No:88319-99-7
MF:C11H18O2S
MW:214.324422359467
CID:637416
PubChem ID:13062666
Update Time:2025-04-19
2(5H)-Furanone, 5-hexyl-3-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2(5H)-Furanone, 5-hexyl-3-(methylthio)-
- 2-hexyl-4-methylsulfanyl-2H-furan-5-one
- 88319-99-7
- DTXSID40516791
- 5-Hexyl-3-(methylsulfanyl)furan-2(5H)-one
-
- Inchi： 1S/C11H18O2S/c1-3-4-5-6-7-9-8-10(14-2)11(12)13-9/h8-9H,3-7H2,1-2H3
- InChI Key： IUSJZRIFJCFCTE-UHFFFAOYSA-N
- SMILES： S(C)C1C(=O)OC(C=1)CCCCCC
Computed Properties
- Exact Mass: 214.10275099g/mol
- Monoisotopic Mass: 214.10275099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 223
- 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: 3.9
- Topological Polar Surface Area: 51.6?2
2(5H)-Furanone, 5-hexyl-3-(methylthio)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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