Cas no 100257-46-3 (Ethanone,1-[4-(butylsulfonyl)phenyl]-)
100257-46-3 structure
Product Name:Ethanone,1-[4-(butylsulfonyl)phenyl]-
CAS No:100257-46-3
MF:C12H16O3S
MW:240.318642616272
CID:124025
PubChem ID:13816208
Update Time:2025-04-18
Ethanone,1-[4-(butylsulfonyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[4-(butylsulfonyl)phenyl]-
- 2-butylsulfonyl-1-phenylethanone
- 4-BUTYLSULFONYLACETOPHENONE
- 2-(butane-1-sulfonyl)-1-phenylethan-1-one
- DTXSID10550425
- 2,4-difluoroanilsole
- AKOS013961734
- 100257-46-3
-
- Inchi: 1S/C12H16O3S/c1-2-3-9-16(14,15)10-12(13)11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
- InChI Key: OBTOQSASKQKGRK-UHFFFAOYSA-N
- SMILES: S(CC(C1C=CC=CC=1)=O)(CCCC)(=O)=O
Computed Properties
- Exact Mass: 240.08200
- Monoisotopic Mass: 240.08201554g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 308
- 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: 2.3
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- PSA: 59.59000
- LogP: 3.54380
Ethanone,1-[4-(butylsulfonyl)phenyl]- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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