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2-[(3-nitrophenyl)methylsulfanyl]-1-oxidopyridin-1-ium

2-[(3-nitrophenyl)methylsulfanyl]-1-oxidopyridin-1-ium structure

CAS No:
745787-54-6
Formula:
C12H10N2O3S
Chemical Name:
2-[(3-nitrophenyl)methylsulfanyl]-1-oxidopyridin-1-ium
Synonyms:
MLS001004574;CHEMBL1440579;HMS2689M05;ZINC2630028;AKOS017003710;SMR000348131;SR-01000050914;SR-01000050914-1;Z18546473;2-{[(3-nitrophenyl)methyl]sulfanyl}pyridin-1-ium-1-olate;745787-54-6

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2-[(3-nitrophenyl)methylsulfanyl]-1-oxidopyridin-1-ium Basic Attributes

Molecular Weight：

262.29 g/mol

Exact Mass：

262.04121336 g/mol

Characteristics

PSA：

96.6 Å²

Water Solubility：

>39.3 [ug/mL]

Computed Properties

Molecular Weight:262.29
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:262.04121336
Monoisotopic Mass:262.04121336
Topological Polar Surface Area:96.6
Heavy Atom Count:18
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(3-nitrophenyl)methylsulfanyl]-1-oxidopyridin-1-ium

Basic Attributes
Characteristics
Computed Properties

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