Cas no 79917-01-4 (Thiophene,2-methyl-5-(1-propyn-1-yl)-)
79917-01-4 structure
Product Name:Thiophene,2-methyl-5-(1-propyn-1-yl)-
CAS No:79917-01-4
MF:C8H8S
MW:136.214120864868
CID:556887
Update Time:2024-01-30
Thiophene,2-methyl-5-(1-propyn-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- Thiophene,2-methyl-5-(1-propyn-1-yl)-
- Thiophene,2-methyl-5-(1-propynyl)- (9CI)
- Thiophene, 2-methyl-5-(1-propynyl)- (9CI)
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- Inchi： 1S/C8H8S/c1-3-4-8-6-5-7(2)9-8/h5-6H,1-2H3
- InChI Key： PXWCFBCFKKNROG-UHFFFAOYSA-N
- SMILES： C1(C)SC(C#CC)=CC=1
Computed Properties
- Exact Mass: 136.035
- Monoisotopic Mass: 136.035
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 148
- 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
- Topological Polar Surface Area: 28.2A^2
Thiophene,2-methyl-5-(1-propyn-1-yl)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
79917-01-4 (Thiophene,2-methyl-5-(1-propyn-1-yl)-) Related Products
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