Cas no 127256-00-2 (Ethanone,2,2-dimethoxy-1-(2-thienyl)-)
127256-00-2 structure
Product Name:Ethanone,2,2-dimethoxy-1-(2-thienyl)-
CAS No:127256-00-2
MF:C8H10O3S
MW:186.228201389313
CID:103194
PubChem ID:818998
Update Time:2025-04-18
Ethanone,2,2-dimethoxy-1-(2-thienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2,2-dimethoxy-1-(2-thienyl)-
- 2,2-Dimethoxy-1-(2-thienyl)ethanone
- 2,2-DIMETHOXY-1-(2-THIENYL)-ETHANONE
- 2,2-dimethoxy-1-thiophen-2-ylethanone
- 1-(2-thienyl)-2,2-dimethoxyethanone
- 2,2-dimethoxy-1-thien-2-ylethanone
- AC1LGCHM
- ACMC-1BYWY
- AI-942
- CTK4B5544
- SBB090451
- AKOS006277972
- FT-0609247
- DTXSID30356027
- AI-942/25034598
- 2,2-Dimethoxy-1-(thiophen-2-yl)ethan-1-one
- 127256-00-2
-
- Inchi： 1S/C8H10O3S/c1-10-8(11-2)7(9)6-4-3-5-12-6/h3-5,8H,1-2H3
- InChI Key： PYWBFVXGPQRTJZ-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C(OC)OC)=O
Computed Properties
- Exact Mass: 186.0351
- Monoisotopic Mass: 186.03506535g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 156
- 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: 1.1
- Topological Polar Surface Area: 63.8?2
Experimental Properties
- PSA: 35.53
Ethanone,2,2-dimethoxy-1-(2-thienyl)- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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