Cas no 761424-78-6 (2-(4-ethylbenzyl)-5-bromothiophene)
761424-78-6 structure
Product Name:2-(4-ethylbenzyl)-5-bromothiophene
CAS No:761424-78-6
MF:C13H13BrS
MW:281.211321592331
CID:2133788
PubChem ID:58843389
Update Time:2025-04-21
2-(4-ethylbenzyl)-5-bromothiophene Chemical and Physical Properties
Names and Identifiers
-
- 2-(4-ethylbenzyl)-5-bromothiophene
- DA-28179
- 761424-78-6
- SCHEMBL155145
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- Inchi： 1S/C13H13BrS/c1-2-10-3-5-11(6-4-10)9-12-7-8-13(14)15-12/h3-8H,2,9H2,1H3
- InChI Key： MUAJAJUMNYDQFN-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(CC2C=CC(=CC=2)CC)S1
Computed Properties
- Exact Mass: 279.99213Da
- Monoisotopic Mass: 279.99213Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 187
- 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: 5.4
- Topological Polar Surface Area: 28.2?2
2-(4-ethylbenzyl)-5-bromothiophene Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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