Cas no 1227960-34-0 (2-bromo-5-(methyl-13C)thiophene)
1227960-34-0 structure
Product Name:2-bromo-5-(methyl-13C)thiophene
CAS No:1227960-34-0
MF:C5H5BrS
MW:178.054854154587
CID:6824208
PubChem ID:132647876
Update Time:2025-03-28
2-bromo-5-(methyl-13C)thiophene Chemical and Physical Properties
Names and Identifiers
-
- 1227960-34-0
- 2-bromo-5-(methyl-13C)thiophene
- CS-22272
-
- Inchi： 1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3/i1+1
- InChI Key： ACDLOOGOFKSUPO-OUBTZVSYSA-N
- SMILES： BrC1=CC=C([13CH3])S1
Computed Properties
- Exact Mass: 176.93289Da
- Monoisotopic Mass: 176.93289Da
- Isotope Atom Count: 1
- 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-13C)thiophene Related Literature
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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