Home Other Building Blocks N-(Trifluoromethylthio)saccharin

N-(Trifluoromethylthio)saccharin

CAS No.:
1647073-46-8
Catalog Number:
AG00JSGU
Molecular Formula:
C8H4F3NO3S2
Molecular Weight:
283.2475
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Product Description
Catalog Number:
AG00JSGU
Chemical Name:
N-(Trifluoromethylthio)saccharin
CAS Number:
1647073-46-8
Molecular Formula:
C8H4F3NO3S2
Molecular Weight:
283.2475
MDL Number:
MFCD28127153
IUPAC Name:
1,1-dioxo-2-(trifluoromethylsulfanyl)-1,2-benzothiazol-3-one
InChI:
InChI=1S/C8H4F3NO3S2/c9-8(10,11)16-12-7(13)5-3-1-2-4-6(5)17(12,14)15/h1-4H
InChI Key:
KNDYXRJLEZMPBC-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2S(=O)(=O)N1SC(F)(F)F
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.958g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.239g/mol
Monoisotopic Mass:
282.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties