Cas no 1643564-78-6 (3-Bromo-5-methylthiophene-d5)
3-Bromo-5-methylthiophene-d5 structure
Product Name:3-Bromo-5-methylthiophene-d5
CAS No:1643564-78-6
MF:C5H5BrS
MW:182.093007802963
CID:6810485
PubChem ID:133553791
Update Time:2025-03-06
3-Bromo-5-methylthiophene-d5 Chemical and Physical Properties
Names and Identifiers
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- 1643564-78-6
- 3-Bromo-5-methylthiophene-d5
- CS-19694
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- Inchi： 1S/C5H5BrS/c1-4-2-5(6)3-7-4/h2-3H,1H3/i1D3,2D,3D
- InChI Key： ABMUSXPGSSMPLK-RHIBPKLGSA-N
- SMILES： BrC1=C([2H])SC(C([2H])([2H])[2H])=C1[2H]
Computed Properties
- Exact Mass: 180.96092Da
- Monoisotopic Mass: 180.96092Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 65.1
- 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: 2.7
- Topological Polar Surface Area: 28.2?2
3-Bromo-5-methylthiophene-d5 Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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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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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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