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1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol

1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol structure

CAS No:
69062-63-1
Formula:
C13H13NO2S
Chemical Name:
1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol
Synonyms:
MLS003170695;69062-63-1;NSC327219;DTXSID80318195;NSC-327219;SMR001874614;DS-007924;1-(1-oxidopyridin-6-yl)-2-phenylsulfanyl-ethanol

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1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol Basic Attributes

Molecular Weight：

247.31 g/mol

Exact Mass：

247.06669983 g/mol

NSC Number：

327219

DSSTox ID：

DTXSID80318195

Characteristics

PSA：

71 Å²

Computed Properties

Molecular Weight:247.31
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:247.06669983
Monoisotopic Mass:247.06669983
Topological Polar Surface Area:71
Heavy Atom Count:17
Complexity:222
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1-oxidopyridin-1-ium-2-yl)-2-phenylsulfanylethanol

Basic Attributes
Characteristics
Computed Properties

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