Cas no 61285-23-2 (Thiophene, 3-bromo-5-methyl-2-phenyl-)
61285-23-2 structure
Product Name:Thiophene, 3-bromo-5-methyl-2-phenyl-
CAS No:61285-23-2
MF:C11H9BrS
MW:253.158160924911
CID:485867
PubChem ID:12290162
Update Time:2025-04-19
Thiophene, 3-bromo-5-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 3-bromo-5-methyl-2-phenyl-
- 3-bromo-5-methyl-2-phenylthiophene
- DTXSID60484867
- 61285-23-2
-
- Inchi： 1S/C11H9BrS/c1-8-7-10(12)11(13-8)9-5-3-2-4-6-9/h2-7H,1H3
- InChI Key： MOHVMBMQMDAZQY-UHFFFAOYSA-N
- SMILES： BrC1C=C(C)SC=1C1C=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: 4.4
- Topological Polar Surface Area: 28.2?2
Experimental Properties
- PSA: 0
Thiophene, 3-bromo-5-methyl-2-phenyl- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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