Cas no 84040-12-0 (Cyclohexanone, 2-(hexylthio)-)
Cyclohexanone, 2-(hexylthio)- structure
Product Name:Cyclohexanone, 2-(hexylthio)-
CAS No:84040-12-0
MF:C12H22OS
MW:214.367482662201
CID:668038
PubChem ID:12820436
Update Time:2025-04-19
Cyclohexanone, 2-(hexylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-(hexylthio)-
- 2-hexylsulfanylcyclohexan-1-one
- DTXSID80510677
- 84040-12-0
- 2-(HEXYLSULFANYL)CYCLOHEXAN-1-ONE
-
- Inchi： 1S/C12H22OS/c1-2-3-4-7-10-14-12-9-6-5-8-11(12)13/h12H,2-10H2,1H3
- InChI Key： YLEBIMJPMTWBKM-UHFFFAOYSA-N
- SMILES： S(CCCCCC)C1C(CCCC1)=O
Computed Properties
- Exact Mass: 214.13913649g/mol
- Monoisotopic Mass: 214.13913649g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 168
- 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: 42.4?2
Cyclohexanone, 2-(hexylthio)- Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
84040-12-0 (Cyclohexanone, 2-(hexylthio)-) Related Products
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