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Home > Fluorides > 879906-25-9
879906-25-9 | 2-Benzothiazolesulfinimidoyl fluoride, N-(phenylsulfonyl)-
CAS No: 879906-25-9 Catalog No: AG004L68 MDL No:
Product Description
Catalog Number:
AG004L68
Chemical Name:
2-Benzothiazolesulfinimidoyl fluoride, N-(phenylsulfonyl)-
CAS Number:
879906-25-9
Molecular Formula:
C13H9FN2O2S3
Molecular Weight:
340.4162
IUPAC Name:
N-[1,3-benzothiazol-2-yl(fluoro)-λ4-sulfanylidene]benzenesulfonamide
InChI:
InChI=1S/C13H9FN2O2S3/c14-20(13-15-11-8-4-5-9-12(11)19-13)16-21(17,18)10-6-2-1-3-7-10/h1-9H
InChI Key:
LMFWYTHQHNAKQZ-UHFFFAOYSA-N
SMILES:
FS(=NS(=O)(=O)c1ccccc1)c1nc2c(s1)cccc2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.981g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.405g/mol
Monoisotopic Mass:
339.981g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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