Cas no 130309-92-1 (5-Benzothiazolamine,2-ethoxy-6-fluoro-)
130309-92-1 structure
Product Name:5-Benzothiazolamine,2-ethoxy-6-fluoro-
CAS No:130309-92-1
MF:C9H9FN2OS
MW:212.243963956833
CID:102695
PubChem ID:14853786
Update Time:2025-04-18
5-Benzothiazolamine,2-ethoxy-6-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 5-Benzothiazolamine,2-ethoxy-6-fluoro-
- 2-ethoxy-6-fluoro-1,3-benzothiazol-5-amine
- 5-Benzothiazolamine,2-ethoxy-6-fluoro-(9CI)
- 130309-92-1
-
- Inchi： 1S/C9H9FN2OS/c1-2-13-9-12-7-4-6(11)5(10)3-8(7)14-9/h3-4H,2,11H2,1H3
- InChI Key： RFISUZUZCGHJKL-UHFFFAOYSA-N
- SMILES： S1C(=NC2C=C(C(=CC1=2)F)N)OCC
Computed Properties
- Exact Mass: 212.04207
- Monoisotopic Mass: 212.04196225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 207
- 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: 2.5
- Topological Polar Surface Area: 76.4?2
Experimental Properties
- PSA: 48.14
5-Benzothiazolamine,2-ethoxy-6-fluoro- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
130309-92-1 (5-Benzothiazolamine,2-ethoxy-6-fluoro-) Related Products
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