Cas no 113732-86-8 (Ethanone,1-(2-amino-4-thiazolyl)-2-bromo-)
113732-86-8 structure
Product Name:Ethanone,1-(2-amino-4-thiazolyl)-2-bromo-
CAS No:113732-86-8
MF:C5H5BrN2OS
MW:221.074998617172
CID:130254
PubChem ID:13606240
Update Time:2025-04-19
Ethanone,1-(2-amino-4-thiazolyl)-2-bromo- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(2-amino-4-thiazolyl)-2-bromo-
- 1-(2-amino-4-thiazolyl)-2-bromoEthanone
- Ethanone, 1-(2-amino-4-thiazolyl)-2-bromo- (9CI)
- SCHEMBL8880291
- FT-0719392
- VLELIZKJWKLDMD-UHFFFAOYSA-N
- 113732-86-8
- 1-(2-AMINO-1,3-THIAZOL-4-YL)-2-BROMOETHANONE
- 2-Amino-4-bromoacetyl-thiazole
-
- Inchi： 1S/C5H5BrN2OS/c6-1-4(9)3-2-10-5(7)8-3/h2H,1H2,(H2,7,8)
- InChI Key： VLELIZKJWKLDMD-UHFFFAOYSA-N
- SMILES： BrCC(C1=CSC(N)=N1)=O
Computed Properties
- Exact Mass: 219.93065
- Monoisotopic Mass: 219.93060g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 144
- 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: 1.4
- Topological Polar Surface Area: 84.2?2
Experimental Properties
- PSA: 55.98
Ethanone,1-(2-amino-4-thiazolyl)-2-bromo- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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