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6-(pyridin-3-ylmethylsulfanyl)-3,7-dihydropurin-2-one

6-(pyridin-3-ylmethylsulfanyl)-3,7-dihydropurin-2-one structure

CAS No:
646510-97-6
Formula:
C11H9N5OS
Chemical Name:
6-(pyridin-3-ylmethylsulfanyl)-3,7-dihydropurin-2-one
Synonyms:
AC1L9XUA;646510-97-6;DTXSID80333025;6-(3-Benzylthiopyridine)2-hydroxypurine;6-(3-pyridylmethylsulfanyl)-9H-purin-2-ol

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6-(pyridin-3-ylmethylsulfanyl)-3,7-dihydropurin-2-one Basic Attributes

Molecular Weight：

259.29 g/mol

Exact Mass：

259.05278110 g/mol

DSSTox ID：

DTXSID80333025

Characteristics

PSA：

108 Å²

Computed Properties

Molecular Weight:259.29
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:259.05278110
Monoisotopic Mass:259.05278110
Topological Polar Surface Area:108
Heavy Atom Count:18
Complexity:361
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: carbon monoxide formula; cefepime; ipa structure; barium hydroxide molar mass; triacetin; potassium iodate

Guide of 6-(pyridin-3-ylmethylsulfanyl)-3,7-dihydropurin-2-one

Basic Attributes
Characteristics
Computed Properties

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