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2-(5-Amino-6-methyl-pyridin-2-ylsulfanyl)-ethanol

HCID 68568631
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(SCCO)ccc1N
InChIKey
VHGKPULIEFXFLD-UHFFFAOYSA-N
Molecular formula
C8H12N2OS
Average molar mass
184.26 g/mol

Names & identifiers

Preferred name
2-(5-Amino-6-methyl-pyridin-2-ylsulfanyl)-ethanol
IUPAC
2-[(5-amino-6-methyl-2-pyridinyl)sulfanyl]ethanol

Names & synonyms

SCHEMBL3254211VHGKPULIEFXFLD-UHFFFAOYSA-NAKOS0175295352-(5-amino-6-methyl-pyridin-2-ylsulfanyl)-ethanol

Database identifiers

PubChem CID
68568631

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
84.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
134

Related reactions

2 records
New reaction record
HRID 1540516 reaction equation
HRID 1540516As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1811560 reaction equation
HRID 1811560As productuspto-grants-2013_01

Compound notes

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