Cas no 61942-70-9 (4H-Cyclohepta[b]thiophen-4-one, 5,6,7,8-tetrahydro-)
![4H-Cyclohepta[b]thiophen-4-one, 5,6,7,8-tetrahydro- structure](https://ossimg.kuujia.com/scimg/62000/61942-70-9x500.png)
61942-70-9 structure
Product Name:4H-Cyclohepta[b]thiophen-4-one, 5,6,7,8-tetrahydro-
CAS No:61942-70-9
MF:C9H10OS
MW:166.240101337433
CID:462711
PubChem ID:12341557
Update Time:2025-04-19
4H-Cyclohepta[b]thiophen-4-one, 5,6,7,8-tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Cyclohepta[b]thiophen-4-one, 5,6,7,8-tetrahydro-
- 5,6,7,8-tetrahydrocyclohepta[b]thiophen-4-one
- 61942-70-9
- DTXSID10492018
- 4-oxo-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
- SCHEMBL3147129
- 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-4-one
- VJXXPASWWIYOEK-UHFFFAOYSA-N
- 5,6,7,8-tetrahydro-cyclohepta[b]thiophen-4-one
-
- Inchi： 1S/C9H10OS/c10-8-3-1-2-4-9-7(8)5-6-11-9/h5-6H,1-4H2
- InChI Key： VJXXPASWWIYOEK-UHFFFAOYSA-N
- SMILES： S1C=CC2C(CCCCC1=2)=O
Computed Properties
- Exact Mass: 166.0453
- Monoisotopic Mass: 166.04523611g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 167
- 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: 2.1
- Topological Polar Surface Area: 45.3?2
Experimental Properties
- PSA: 17.07
4H-Cyclohepta[b]thiophen-4-one, 5,6,7,8-tetrahydro- Related Literature
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Julia M. Yeomans Soft Matter, 2010,6, 703-704
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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