Cas no 37456-99-8 (Cyclohexanone, 2-(butylthio)-)
Cyclohexanone, 2-(butylthio)- structure
Product Name:Cyclohexanone, 2-(butylthio)-
CAS No:37456-99-8
MF:C10H18OS
MW:186.314321994781
CID:1483633
PubChem ID:11052358
Update Time:2025-04-21
Cyclohexanone, 2-(butylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 2-(butylthio)-
- 2-butylsulfanylcyclohexan-1-one
- SCHEMBL14508480
- DTXSID90453400
- butylthiocyclohexanone
- 37456-99-8
-
- Inchi： 1S/C10H18OS/c1-2-3-8-12-10-7-5-4-6-9(10)11/h10H,2-8H2,1H3
- InChI Key： JDGBFXDGKIJADW-UHFFFAOYSA-N
- SMILES： S(CCCC)C1C(CCCC1)=O
Computed Properties
- Exact Mass: 186.10794
- Monoisotopic Mass: 186.10783637g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 145
- 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: 2.8
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Cyclohexanone, 2-(butylthio)- Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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