Home Other Building Blocks 5-fluoro-3-imino-2,3-dihydro-1,2-benzothiazole-1,1-dione

5-fluoro-3-imino-2,3-dihydro-1,2-benzothiazole-1,1-dione

CAS No.:
1803566-47-3
Catalog Number:
AG01BFOR
Molecular Formula:
C7H5FN2O2S
Molecular Weight:
200.1902
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Product Description
Catalog Number:
AG01BFOR
Chemical Name:
5-fluoro-3-imino-2,3-dihydro-1,2-benzothiazole-1,1-dione
CAS Number:
1803566-47-3
Molecular Formula:
C7H5FN2O2S
Molecular Weight:
200.1902
MDL Number:
MFCD28118673
IUPAC Name:
5-fluoro-1,1-dioxo-1,2-benzothiazol-3-amine
InChI:
InChI=1S/C7H5FN2O2S/c8-4-1-2-6-5(3-4)7(9)10-13(6,11)12/h1-3H,(H2,9,10)
InChI Key:
YQZCBQFZLNBTND-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C(=N)NS2(=O)=O
Properties
Complexity:
346  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.006g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.187g/mol
Monoisotopic Mass:
200.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties