Cas no 515154-34-4 (1-BUTANONE, 3,3-DIMETHYL-1-(2-THIENYL)-)
515154-34-4 structure
Product Name:1-BUTANONE, 3,3-DIMETHYL-1-(2-THIENYL)-
CAS No:515154-34-4
MF:C10H14OS
MW:182.282561779022
CID:3200159
PubChem ID:43160705
Update Time:2025-04-21
1-BUTANONE, 3,3-DIMETHYL-1-(2-THIENYL)- Chemical and Physical Properties
Names and Identifiers
-
- 1-BUTANONE, 3,3-DIMETHYL-1-(2-THIENYL)-
- AKOS009346998
- 3,3-Dimethyl-1-(2-thienyl)-1-butanone
- OJBVDVLPVLTZBZ-UHFFFAOYSA-N
- 515154-34-4
- SCHEMBL5043411
- DTXSID101286292
-
- Inchi： 1S/C10H14OS/c1-10(2,3)7-8(11)9-5-4-6-12-9/h4-6H,7H2,1-3H3
- InChI Key： OJBVDVLPVLTZBZ-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(CC(C)(C)C)=O
Computed Properties
- Exact Mass: 182.07653624Da
- Monoisotopic Mass: 182.07653624Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 169
- 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: 2.9
- Topological Polar Surface Area: 45.3?2
1-BUTANONE, 3,3-DIMETHYL-1-(2-THIENYL)- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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