Cas no 821789-55-3 (1-Propanone, 1-(5-bromo-2-thienyl)-2-hydroxy-2-methyl-)
821789-55-3 structure
Product Name:1-Propanone, 1-(5-bromo-2-thienyl)-2-hydroxy-2-methyl-
CAS No:821789-55-3
MF:C8H9BrO2S
MW:249.124860525131
CID:696701
PubChem ID:10243767
Update Time:2025-04-19
1-Propanone, 1-(5-bromo-2-thienyl)-2-hydroxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 1-(5-bromo-2-thienyl)-2-hydroxy-2-methyl-
- 1-(5-bromothiophen-2-yl)-2-hydroxy-2-methylpropan-1-one
- 821789-55-3
- SCHEMBL5469523
- NDJOUMJHWPEKBY-UHFFFAOYSA-N
- DTXSID40437255
-
- Inchi： 1S/C8H9BrO2S/c1-8(2,11)7(10)5-3-4-6(9)12-5/h3-4,11H,1-2H3
- InChI Key： NDJOUMJHWPEKBY-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C(C(C)(C)O)=O)S1
Computed Properties
- Exact Mass: 247.95066g/mol
- Monoisotopic Mass: 247.95066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 194
- 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: 2.6
- Topological Polar Surface Area: 65.5?2
1-Propanone, 1-(5-bromo-2-thienyl)-2-hydroxy-2-methyl- 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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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