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69360-24-3 | 1,2-Benzisothiazol-3(2H)-imine, 2-phenyl-, 1,1-dioxide
CAS No: 69360-24-3 Catalog No: AG005N95 MDL No:
Product Description
Catalog Number:
AG005N95
Chemical Name:
1,2-Benzisothiazol-3(2H)-imine, 2-phenyl-, 1,1-dioxide
CAS Number:
69360-24-3
Molecular Formula:
C13H10N2O2S
Molecular Weight:
258.2957
IUPAC Name:
1,1-dioxo-2-phenyl-1,2-benzothiazol-3-imine
InChI:
InChI=1S/C13H10N2O2S/c14-13-11-8-4-5-9-12(11)18(16,17)15(13)10-6-2-1-3-7-10/h1-9,14H
InChI Key:
LGCNBMMEFRPGRD-UHFFFAOYSA-N
SMILES:
N=C1c2ccccc2S(=O)(=O)N1c1ccccc1
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.295g/mol
Monoisotopic Mass:
258.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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