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1-Phenyl-3-(pyridin-3-ylmethylideneamino)thiourea

HCID 932707
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
S=C(NN=Cc1cccnc1)Nc1ccccc1
InChIKey
XIKULJQYALWOGW-UHFFFAOYSA-N
Molecular formula
C13H12N4S
Average molar mass
256.33 g/mol
Monoisotopic mass
256.07826757

Names & identifiers

Preferred name
1-Phenyl-3-(pyridin-3-ylmethylideneamino)thiourea
IUPAC
1-phenyl-3-(pyridin-3-ylmethylideneamino)thiourea

Names & synonyms

SCHEMBL716909

Database identifiers

PubChem CID
932707

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
81.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
287

Related reactions

1 records
New reaction record
HRID 1146637 reaction equation
HRID 1146637As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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