Cas no 51823-75-7 (4-(Butylsulfanyl)-3-methylbutan-2-one)
51823-75-7 structure
Product Name:4-(Butylsulfanyl)-3-methylbutan-2-one
CAS No:51823-75-7
MF:C9H18OS
MW:174.303621768951
CID:2829970
PubChem ID:12574434
Update Time:2025-04-21
4-(Butylsulfanyl)-3-methylbutan-2-one Chemical and Physical Properties
Names and Identifiers
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- 51823-75-7
- SCHEMBL12134769
- DTXSID80503084
- 4-(BUTYLSULFANYL)-3-METHYLBUTAN-2-ONE
- 4-(Butylsulfanyl)-3-methylbutan-2-one
-
- Inchi： 1S/C9H18OS/c1-4-5-6-11-7-8(2)9(3)10/h8H,4-7H2,1-3H3
- InChI Key： ALMIFTPNTBYXPU-UHFFFAOYSA-N
- SMILES： S(CCCC)CC(C(C)=O)C
Computed Properties
- Exact Mass: 174.10783637Da
- Monoisotopic Mass: 174.10783637Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 112
- 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: 2.4
- Topological Polar Surface Area: 42.4?2
4-(Butylsulfanyl)-3-methylbutan-2-one Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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