Cas no 100256-29-9 (1-(4-butylsulfanylphenyl)ethanone)
100256-29-9 structure
Product Name:1-(4-butylsulfanylphenyl)ethanone
CAS No:100256-29-9
MF:C12H16OS
MW:208.319842338562
CID:1125489
PubChem ID:11390161
Update Time:2025-04-20
1-(4-butylsulfanylphenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-butylsulfanylphenyl)ethanone
- Ethanone, 1-[4-(butylthio)phenyl]-
- 4-Butylmercapto-acetophenon
- ZINC12062835
- 1-(4-(but-1-ylthio)phenyl)ethanone
- 1-(4-Butylmercapto-phenyl)-aethanon
- AGN-PC-0085A2
- 1-acetyl-4-butylthiobenzene
- 1-(4-butylsulfanyl-phenyl)-ethanone
- ST50500325
- ACMC-20m3bi
- SureCN10498096
- CTK0G8966
- Ethanone, 1-[4-(butylthio)phenyl]-; 4-Butylmercapto-acetophenon; ZINC12062835; 1-(4-(but-1-ylthio)phenyl)ethanone; 1-(4-Butylmercapto-phenyl)-aethanon; AGN-PC-0085A2; 1-acetyl-4-butylthiobenzene; 1-(4-butylsulfanyl-phenyl)-ethanone; ST50500325; ACMC-20m3bi; SureCN10498096; CTK0G8966;
- SCHEMBL10498096
- STL448874
- A1-05678
- DTXSID30464373
- 4'-(n-Butylthio)acetophenone
- 1-(4-(Butylthio)phenyl)ethanone
- 1-[4-(BUTYLSULFANYL)PHENYL]ETHAN-1-ONE
- 100256-29-9
- AKOS002255477
- 1-[4-(BUTYLSULFANYL)PHENYL]ETHANONE
-
- MDL: MFCD08549011
- Inchi: 1S/C12H16OS/c1-3-4-9-14-12-7-5-11(6-8-12)10(2)13/h5-8H,3-4,9H2,1-2H3
- InChI Key: CUWQCLZLLYHJEA-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C(C)=O)=CC=1)CCCC
Computed Properties
- Exact Mass: 208.09228
- Monoisotopic Mass: 208.09218630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 171
- 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: 3.4
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
1-(4-butylsulfanylphenyl)ethanone Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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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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