1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione

C18H15N3S — CID 4058635

IUPAC1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione
SMILESS=c1c(C=NNc2ccccc2)cccn1-c1ccccc1
InChIInChI=1S/C18H15N3S/c22-18-15(14-19-20-16-9-3-1-4-10-16)8-7-13-21(18)17-11-5-2-6-12-17/h1-14,20H
InChIKeyXMTQTFRGEQIKJD-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.65
Rot. Bonds4

About 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione

1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione (PubChem CID 4058635) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione.

Molecular Properties

Compound Name1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione
PubChem CID4058635
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione
SMILESS=c1c(C=NNc2ccccc2)cccn1-c1ccccc1
InChIInChI=1S/C18H15N3S/c22-18-15(14-19-20-16-9-3-1-4-10-16)8-7-13-21(18)17-11-5-2-6-12-17/h1-14,20H
InChIKeyXMTQTFRGEQIKJD-UHFFFAOYSA-N
XLogP4.65
TPSA29.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione?
The IUPAC name of 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione (CID 4058635) is 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione.
What is the SMILES notation for 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione?
The canonical SMILES for 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione is S=c1c(C=NNc2ccccc2)cccn1-c1ccccc1.
What is the InChIKey of 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione?
The InChIKey is XMTQTFRGEQIKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c22-18-15(14-19-20-16-9-3-1-4-10-16)8-7-13-21(18)17-11-5-2-6-12-17/h1-14,20H.
What are the key properties of 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione?
1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione has a molecular weight of 305.41 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(phenylhydrazinylidene)methyl]pyridine-2-thione is sourced from PubChem (CID 4058635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).