Cas no 57212-68-7 (2-Butanone, 4-(dodecylthio)-3-methyl-)
57212-68-7 structure
Product Name:2-Butanone, 4-(dodecylthio)-3-methyl-
CAS No:57212-68-7
MF:C17H34OS
MW:286.516264438629
CID:346152
PubChem ID:20576075
Update Time:2025-04-19
2-Butanone, 4-(dodecylthio)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 4-(dodecylthio)-3-methyl-
- 4-dodecylsulfanyl-3-methylbutan-2-one
- 57212-68-7
- DTXSID60608900
- 4-(DODECYLSULFANYL)-3-METHYLBUTAN-2-ONE
-
- Inchi： 1S/C17H34OS/c1-4-5-6-7-8-9-10-11-12-13-14-19-15-16(2)17(3)18/h16H,4-15H2,1-3H3
- InChI Key： BEYRTSBQXHRYLV-UHFFFAOYSA-N
- SMILES： S(CC(C(C)=O)C)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 286.23322
- Monoisotopic Mass: 286.23303688g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 14
- Complexity: 203
- 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: 6.7
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
2-Butanone, 4-(dodecylthio)-3-methyl- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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