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1000575-69-8 | 7-Fluoro-4-methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide
CAS No: 1000575-69-8 Catalog No: AG01F5B2 MDL No:
Product Description
Catalog Number:
AG01F5B2
Chemical Name:
7-Fluoro-4-methyl-3-methylthio-4H-1,2,4-benzothiadiazin-1,1-dioxide
CAS Number:
1000575-69-8
Molecular Formula:
C9H9FN2O2S2
Molecular Weight:
260.3084
IUPAC Name:
7-fluoro-4-methyl-3-methylsulfanyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
InChI:
InChI=1S/C9H9FN2O2S2/c1-12-7-4-3-6(10)5-8(7)16(13,14)11-9(12)15-2/h3-5H,1-2H3
InChI Key:
KLVGRUVHFBYSLC-UHFFFAOYSA-N
SMILES:
CSC1=NS(=O)(=O)c2c(N1C)ccc(c2)F
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.301g/mol
Monoisotopic Mass:
260.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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