Cas no 61224-84-8 (2-Hexanone, 6-(ethylthio)-)
2-Hexanone, 6-(ethylthio)- structure
Product Name:2-Hexanone, 6-(ethylthio)-
CAS No:61224-84-8
MF:C8H16OS
MW:160.277041435242
CID:487680
PubChem ID:43793964
Update Time:2025-04-19
2-Hexanone, 6-(ethylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 6-(ethylthio)-
- 6-ethylsulfanylhexan-2-one
- DTXSID20656346
- 6-(ETHYLSULFANYL)HEXAN-2-ONE
- 61224-84-8
-
- Inchi： 1S/C8H16OS/c1-3-10-7-5-4-6-8(2)9/h3-7H2,1-2H3
- InChI Key： LOCIQEKCPXHVTE-UHFFFAOYSA-N
- SMILES： S(CC)CCCCC(C)=O
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: 6
- Complexity: 91.3
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
2-Hexanone, 6-(ethylthio)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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