Cas no 94704-09-3 (1-Propanone,1-(2-amino-5-benzothiazolyl)-)
94704-09-3 structure
Product Name:1-Propanone,1-(2-amino-5-benzothiazolyl)-
CAS No:94704-09-3
MF:C10H10N2OS
MW:206.264200687408
CID:798719
Update Time:2024-02-01
1-Propanone,1-(2-amino-5-benzothiazolyl)- Chemical and Physical Properties
Names and Identifiers
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- 1-Propanone,1-(2-amino-5-benzothiazolyl)-
- 1-Propanone,1-(2-amino-5-benzothiazolyl)-(9CI)
- 1-(2-amino-1,3-benzothiazol-5-yl)propan-1-one
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- Inchi： 1S/C10H10N2OS/c1-2-8(13)6-3-4-9-7(5-6)12-10(11)14-9/h3-5H,2H2,1H3,(H2,11,12)
- InChI Key： KFSDUSSHZDYQAN-UHFFFAOYSA-N
- SMILES： C(C1=CC=C2SC(N)=NC2=C1)(=O)CC
Computed Properties
- Exact Mass: 206.051
- Monoisotopic Mass: 206.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 234
- 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
- Topological Polar Surface Area: 84.2A^2
1-Propanone,1-(2-amino-5-benzothiazolyl)- Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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