Cas no 50460-00-9 (Ethanone, 1-(4-benzoyl-2-thienyl)-)
50460-00-9 structure
Product Name:Ethanone, 1-(4-benzoyl-2-thienyl)-
CAS No:50460-00-9
MF:C13H10O2S
MW:230.282302379608
CID:1572445
PubChem ID:728031
Update Time:2025-04-21
Ethanone, 1-(4-benzoyl-2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(4-benzoyl-2-thienyl)-
- 1-(4-benzoylthiophen-2-yl)ethanone
- 2-acetyl-4-benzoylthiophene
- DTXSID00352495
- AKOS003809485
- 50460-00-9
-
- Inchi： 1S/C13H10O2S/c1-9(14)12-7-11(8-16-12)13(15)10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key： QVCRXOJHGYLCPC-UHFFFAOYSA-N
- SMILES： S1C=C(C=C1C(C)=O)C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 230.0402
- Monoisotopic Mass: 230.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 282
- 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
- Topological Polar Surface Area: 62.4?2
Experimental Properties
- PSA: 34.14
Ethanone, 1-(4-benzoyl-2-thienyl)- Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
50460-00-9 (Ethanone, 1-(4-benzoyl-2-thienyl)-) Related Products
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