Cas no 69688-97-7 (2-Butanone, 4-(butylthio)-)
2-Butanone, 4-(butylthio)- structure
Product Name:2-Butanone, 4-(butylthio)-
CAS No:69688-97-7
MF:C8H16OS
MW:160.277041435242
CID:391500
PubChem ID:11636851
Update Time:2025-04-19
2-Butanone, 4-(butylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone, 4-(butylthio)-
- 4-butylsulfanylbutan-2-one
- (1-butylsulfanylmethyl)propan-2-one
- DTXSID30469787
- 69688-97-7
-
- Inchi： 1S/C8H16OS/c1-3-4-6-10-7-5-8(2)9/h3-7H2,1-2H3
- InChI Key： FCDBBEIGXJZUMU-UHFFFAOYSA-N
- SMILES： S(CCC(C)=O)CCCC
Computed Properties
- Exact Mass: 160.09228
- Monoisotopic Mass: 160.09218630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 91.3
- 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: 1.8
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
2-Butanone, 4-(butylthio)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
69688-97-7 (2-Butanone, 4-(butylthio)-) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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