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S-2-Pyridyl isonicotinothioate

HCID 12082185
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Sc1ccccn1)c1ccncc1
InChIKey
KJBIGVUHLFKBKU-UHFFFAOYSA-N
Molecular formula
C11H8N2OS
Average molar mass
216.26 g/mol

Names & identifiers

Preferred name
S-2-Pyridyl isonicotinothioate
IUPAC
S-pyridin-2-yl pyridine-4-carbothioate

Names & synonyms

S-2-Pyridyl isonicotinothioate430433-06-0SCHEMBL5089864KJBIGVUHLFKBKU-UHFFFAOYSA-NDB-096834

Database identifiers

PubChem CID
12082185

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
68.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Formal charge
0
Complexity
217

Related reactions

2 records
New reaction record
HRID 23306 reaction equation
HRID 23306As productuspto-grants-2005_02
HRID 1563140 reaction equation
HRID 1563140As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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