3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine

C18H16N3PS — CID 2350724

IUPAC3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine
SMILESS=P(NN=Cc1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N3PS/c23-22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)21-20-15-16-8-7-13-19-14-16/h1-15H,(H,21,23)
InChIKeyCEPILNOSDIYMBN-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.05
Rot. Bonds5

About 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine

3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine (PubChem CID 2350724) has the molecular formula C18H16N3PS and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine.

Molecular Properties

Compound Name3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine
PubChem CID2350724
Molecular FormulaC18H16N3PS
Molecular Weight337.39 g/mol
Exact Mass337.08
IUPAC Name3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine
SMILESS=P(NN=Cc1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H16N3PS/c23-22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)21-20-15-16-8-7-13-19-14-16/h1-15H,(H,21,23)
InChIKeyCEPILNOSDIYMBN-UHFFFAOYSA-N
XLogP3.05
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
1-phenyl-N-(pyridin-3-ylmethylideneamino)methanamine
CID 110839910
1,2-bis[(E)-pyridin-3-ylmethylideneamino]guanidine
CID 6913986
4-methyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 5175441
N-(pyridin-3-ylmethylideneamino)-1H-benzimidazol-2-amine
CID 2852455
1-(difluoromethoxy)-4-[(diphenylphosphinothioylhydrazinylidene)methyl]benzene
CID 2342638
N-phenyl-N-(pyridin-3-ylmethylideneamino)aniline
CID 4985790
N-[(E)-pyridin-3-ylmethylideneamino]pyridazin-3-amine
CID 167776981
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781

Frequently Asked Questions

What is the IUPAC name of 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine?
The IUPAC name of 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine (CID 2350724) is 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine.
What is the SMILES notation for 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine?
The canonical SMILES for 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine is S=P(NN=Cc1cccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine?
The InChIKey is CEPILNOSDIYMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N3PS/c23-22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)21-20-15-16-8-7-13-19-14-16/h1-15H,(H,21,23).
What are the key properties of 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine?
3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine has a molecular weight of 337.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(diphenylphosphinothioylhydrazinylidene)methyl]pyridine is sourced from PubChem (CID 2350724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).