Cas no 1202771-93-4 (2-(3-Methylthiophen-2-yl)but-3-yn-2-ol)
1202771-93-4 structure
Product Name:2-(3-Methylthiophen-2-yl)but-3-yn-2-ol
CAS No:1202771-93-4
MF:C9H10OS
MW:166.240101337433
CID:2121146
Update Time:2023-08-04
2-(3-Methylthiophen-2-yl)but-3-yn-2-ol Chemical and Physical Properties
Names and Identifiers
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- 2-(3-methylthiophen-2-yl)but-3-yn-2-ol
- 2-(3-Methylthiophen-2-yl)but-3-yn-2-ol
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- Inchi： 1S/C9H10OS/c1-4-9(3,10)8-7(2)5-6-11-8/h1,5-6,10H,2-3H3
- InChI Key： NQHGFRDQOSQWSG-UHFFFAOYSA-N
- SMILES： S1C=CC(C)=C1C(C#C)(C)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 193
- Topological Polar Surface Area: 48.5
2-(3-Methylthiophen-2-yl)but-3-yn-2-ol Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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