Cas no 62403-80-9 (Thiophene, 5-bromo-2-methyl-3-phenyl-)
62403-80-9 structure
Product Name:Thiophene, 5-bromo-2-methyl-3-phenyl-
CAS No:62403-80-9
MF:C11H9BrS
MW:253.158160924911
CID:445971
PubChem ID:12323251
Update Time:2025-04-19
Thiophene, 5-bromo-2-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 5-bromo-2-methyl-3-phenyl-
- 5-bromo-2-methyl-3-phenylthiophene
- AKOS015943244
- DTXSID00488945
- 62403-80-9
-
- Inchi： 1S/C11H9BrS/c1-8-10(7-11(12)13-8)9-5-3-2-4-6-9/h2-7H,1H3
- InChI Key： KXXPHMSQCJJSQM-UHFFFAOYSA-N
- SMILES： BrC1=CC(=C(C)S1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 251.96087
- Monoisotopic Mass: 251.96083g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 166
- 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: 4.7
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 0
Thiophene, 5-bromo-2-methyl-3-phenyl- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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