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58131-53-6 | 2-[4-[(4-Methylphenyl)sulfonyl]benzofurazan-7-yl]thiopyridine 1-oxide
CAS No: 58131-53-6 Catalog No: AG00F1DW MDL No:
Product Description
Catalog Number:
AG00F1DW
Chemical Name:
2-[4-[(4-Methylphenyl)sulfonyl]benzofurazan-7-yl]thiopyridine 1-oxide
CAS Number:
58131-53-6
IUPAC Name:
4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole
InChI:
InChI=1S/C18H13N3O4S2/c1-12-5-7-13(8-6-12)27(23,24)15-10-9-14(17-18(15)20-25-19-17)26-16-4-2-3-11-21(16)22/h2-11H,1H3
InChI Key:
BCHFBYJCFWYZKB-UHFFFAOYSA-N
NSC Number:
228157
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.035g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.439g/mol
Monoisotopic Mass:
399.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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