Cas no 67106-63-2 (Cyclohexanone, 2-(1,3-dithian-2-ylidene)-)
67106-63-2 structure
Product Name:Cyclohexanone, 2-(1,3-dithian-2-ylidene)-
CAS No:67106-63-2
MF:C10H14OS2
MW:214.347560405731
CID:1714840
PubChem ID:12529424
Update Time:2025-04-21
Cyclohexanone, 2-(1,3-dithian-2-ylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-(1,3-dithian-2-ylidene)-
- 2-(1,3-dithian-2-ylidene)cyclohexan-1-one
- DTXSID60501467
- 67106-63-2
-
- Inchi： 1S/C10H14OS2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h1-7H2
- InChI Key： XNFRUHADTFCCBW-UHFFFAOYSA-N
- SMILES： S1CCCS/C/1=C1/C(CCCC/1)=O
Computed Properties
- Exact Mass: 214.04872
- Monoisotopic Mass: 214.04860741g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 237
- 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: 2.5
- Topological Polar Surface Area: 67.7?2
Experimental Properties
- PSA: 17.07
Cyclohexanone, 2-(1,3-dithian-2-ylidene)- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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