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4-(3-Hydroxy-2-butylthiomethyl)pyridine

HCID 53672096
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(O)C(C)SCc1ccncc1
InChIKey
BAPIUJYONJVSKH-UHFFFAOYSA-N
Molecular formula
C10H15NOS
Average molar mass
197.3 g/mol

Names & identifiers

Preferred name
4-(3-Hydroxy-2-butylthiomethyl)pyridine
IUPAC
3-(pyridin-4-ylmethylsulfanyl)butan-2-ol

Names & synonyms

SCHEMBL10994572BAPIUJYONJVSKH-UHFFFAOYSA-N4-(3-Hydroxy-2-butylthiomethyl)pyridine

Database identifiers

PubChem CID
53672096

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
58.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Formal charge
0
Complexity
137

Related reactions

3 records
New reaction record
HRID 160125 reaction equation
HRID 160125As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 485050 reaction equation
HRID 485050As productuspto-grants-1985_08
HRID 1389786 reaction equation
HRID 1389786As productuspto-grants-1981_01

Compound notes

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