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4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole

4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole structure

CAS No:
58131-53-6
Formula:
C18H13N3O4S2
Chemical Name:
4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole
Synonyms:
58131-53-6;BENZOFURAZAN, 4-((4-METHYLPHENYL)SULFONYL)-7-(2-PYRIDINYLTHIO)-, N-OXIDE;NSC228157;Benzofurazan, N-oxide;4-(p-Tolylsulfonyl)-7-(2-pyridylthio-N-oxide)benzofurazan;4-((4-Methylphenyl)sulfonyl)-7-(2-pyridinylthio)benzofurazan N-oxide;DTXSID10206854;ZINC1757988;NSC 228157;NSC-228157;2-[4-[(4-Methylphenyl)sulfonyl]benzofurazan-7-yl]thiopyridine 1-oxide

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4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole Basic Attributes

Molecular Weight：

399.4 g/mol

Exact Mass：

399.03474825 g/mol

NSC Number：

228157

DSSTox ID：

DTXSID10206854

Characteristics

PSA：

132 Å²

Computed Properties

Molecular Weight:399.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:399.03474825
Monoisotopic Mass:399.03474825
Topological Polar Surface Area:132
Heavy Atom Count:27
Complexity:606
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole

Basic Attributes
Characteristics
Computed Properties

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