Cas no 2256740-53-9 (2-bromo-4-(methyl-d3)thiazole)
2-bromo-4-(methyl-d3)thiazole structure
Product Name:2-bromo-4-(methyl-d3)thiazole
CAS No:2256740-53-9
MF:C4H4BrNS
MW:181.06874370575
CID:6827351
PubChem ID:172405148
Update Time:2025-03-02
2-bromo-4-(methyl-d3)thiazole Chemical and Physical Properties
Names and Identifiers
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- CS-25624
- 2-bromo-4-(methyl-d3)thiazole
- 2256740-53-9
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- Inchi： 1S/C4H4BrNS/c1-3-2-7-4(5)6-3/h2H,1H3/i1D3
- InChI Key： KLFWJAAGXUDNIS-FIBGUPNXSA-N
- SMILES： BrC1=NC(=CS1)C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 179.94361Da
- Monoisotopic Mass: 179.94361Da
- Isotope Atom Count: 3
- 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
2-bromo-4-(methyl-d3)thiazole 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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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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