Cas no 353487-39-5 (1-Propanone,1-(5-bromobenzo[b]thien-3-yl)-)
353487-39-5 structure
Product Name:1-Propanone,1-(5-bromobenzo[b]thien-3-yl)-
CAS No:353487-39-5
MF:C11H9BrOS
MW:269.157561063766
CID:303052
PubChem ID:5010178
Update Time:2025-04-19
1-Propanone,1-(5-bromobenzo[b]thien-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone,1-(5-bromobenzo[b]thien-3-yl)-
- 1-(5-bromo-1-benzothiophen-3-yl)propan-1-one
- 1-(5-Bromo-benzo[b]thiophen-3-yl)-propan-1-one
- 3-Propanoyl-5-bromo-benzo[b]thiophene
- 1-(5-bromo-1-benzothien-3-yl)-1-propanone
- 353487-39-5
- DTXSID60407490
- AN-278/13643034
-
- Inchi: 1S/C11H9BrOS/c1-2-10(13)9-6-14-11-4-3-7(12)5-8(9)11/h3-6H,2H2,1H3
- InChI Key: ZJRDAGPTEMFYBI-UHFFFAOYSA-N
- SMILES: BrC1C=CC2=C(C=1)C(=CS2)C(CC)=O
Computed Properties
- Exact Mass: 267.95600
- Monoisotopic Mass: 267.955748
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 231
- 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: 3.9
- Topological Polar Surface Area: 45.3
Experimental Properties
- PSA: 45.31000
- LogP: 4.25650
1-Propanone,1-(5-bromobenzo[b]thien-3-yl)- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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