Cas no 89730-36-9 (Cycloheptanone, 2-(hexylthio)-)
89730-36-9 structure
Product Name:Cycloheptanone, 2-(hexylthio)-
CAS No:89730-36-9
MF:C13H24OS
MW:228.394062995911
CID:591196
PubChem ID:13128898
Update Time:2025-04-19
Cycloheptanone, 2-(hexylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptanone, 2-(hexylthio)-
- 2-hexylsulfanylcycloheptan-1-one
- DTXSID80520433
- 89730-36-9
- 2-(HEXYLSULFANYL)CYCLOHEPTAN-1-ONE
-
- Inchi： 1S/C13H24OS/c1-2-3-4-8-11-15-13-10-7-5-6-9-12(13)14/h13H,2-11H2,1H3
- InChI Key： RZKIXHURGGTLOM-UHFFFAOYSA-N
- SMILES： S(CCCCCC)C1C(CCCCC1)=O
Computed Properties
- Exact Mass: 228.15478656g/mol
- Monoisotopic Mass: 228.15478656g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 179
- 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: 4.4
- Topological Polar Surface Area: 42.4?2
Cycloheptanone, 2-(hexylthio)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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