Cas no 1643537-45-4 (5-Bromo-4-methylthiazole-d4)
5-Bromo-4-methylthiazole-d4 structure
Product Name:5-Bromo-4-methylthiazole-d4
CAS No:1643537-45-4
MF:C4H4BrNS
MW:182.074905395508
CID:6810979
PubChem ID:133553782
Update Time:2025-03-06
5-Bromo-4-methylthiazole-d4 Chemical and Physical Properties
Names and Identifiers
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- 1643537-45-4
- 5-Bromo-4-methylthiazole-d4
- CS-19674
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- Inchi： 1S/C4H4BrNS/c1-3-4(5)7-2-6-3/h2H,1H3/i1D3,2D
- InChI Key： IIMLZWMRQNCPTM-MZCSYVLQSA-N
- SMILES： BrC1=C(C([2H])([2H])[2H])N=C([2H])S1
Computed Properties
- Exact Mass: 180.94989Da
- Monoisotopic Mass: 180.94989Da
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 68.7
- 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: 2.4
- Topological Polar Surface Area: 41.1?2
5-Bromo-4-methylthiazole-d4 Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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