Cas no 250252-23-4 (2-(5-methylthiophen-2-yl)but-3-yn-2-ol)
250252-23-4 structure
Product Name:2-(5-methylthiophen-2-yl)but-3-yn-2-ol
CAS No:250252-23-4
MF:C9H10OS
MW:166.240101337433
CID:2121372
Update Time:2023-11-19
2-(5-methylthiophen-2-yl)but-3-yn-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 2-(5-methylthiophen-2-yl)but-3-yn-2-ol
- 2-Thiophenemethanol, alpha-ethynyl-alpha,5-dimethyl-
- CID 87266619
- 2-Thiophenemethanol, α-ethynyl-α,5-dimethyl-
-
- Inchi： 1S/C9H10OS/c1-4-9(3,10)8-6-5-7(2)11-8/h1,5-6,10H,2-3H3
- InChI Key： WGMXPSKJTBESGH-UHFFFAOYSA-N
- SMILES： S1C(C)=CC=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-(5-methylthiophen-2-yl)but-3-yn-2-ol Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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