Cas no 1643563-06-7 (2-bromo-5-(methyl-d3)thiophene-3,4-d2)
1643563-06-7 structure
Product Name:2-bromo-5-(methyl-d3)thiophene-3,4-d2
CAS No:1643563-06-7
MF:C5H5BrS
MW:182.093007802963
CID:6824440
PubChem ID:133553961
Update Time:2025-03-06
2-bromo-5-(methyl-d3)thiophene-3,4-d2 Chemical and Physical Properties
Names and Identifiers
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- 2-bromo-5-(methyl-d3)thiophene-3,4-d2
- CS-22522
- 2-Bromo-5-methylthiophene-d5
- 1643563-06-7
-
- Inchi： 1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3/i1D3,2D,3D
- InChI Key： ACDLOOGOFKSUPO-RHIBPKLGSA-N
- SMILES： BrC1=C([2H])C([2H])=C(C([2H])([2H])[2H])S1
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: 3
- Topological Polar Surface Area: 28.2?2
2-bromo-5-(methyl-d3)thiophene-3,4-d2 Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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