manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate

C20H14MnN6S2+ — CID 11826597

IUPACmanganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
SMILESC(=N/c1ccccc1/N=C/c1ccccn1)\c1ccccn1.[Mn+3].[N-]=C=S.[N-]=C=S
InChIInChI=1S/C18H14N4.2CNS.Mn/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;2*2-1-3;/h1-14H;;;/q;2*-1;+3/b21-13+,22-14+;;;
InChIKeyDGRHVLMWAPEWNU-MYHDMYFSSA-N
MW457.45 g/mol
LogP5.29
Rot. Bonds4

About manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate

manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate (PubChem CID 11826597) has the molecular formula C20H14MnN6S2+ and a molecular weight of 457.45 g/mol. Its IUPAC name is manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate.

Molecular Properties

Compound Namemanganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
PubChem CID11826597
Molecular FormulaC20H14MnN6S2+
Molecular Weight457.45 g/mol
Exact Mass457.01
IUPAC Namemanganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
SMILESC(=N/c1ccccc1/N=C/c1ccccn1)\c1ccccn1.[Mn+3].[N-]=C=S.[N-]=C=S
InChIInChI=1S/C18H14N4.2CNS.Mn/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;2*2-1-3;/h1-14H;;;/q;2*-1;+3/b21-13+,22-14+;;;
InChIKeyDGRHVLMWAPEWNU-MYHDMYFSSA-N
XLogP5.29
TPSA95.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
CID 140660307
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
CID 101430447
dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine
CID 175684000
zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
CID 139068771
1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine
CID 102340427
4-(pyridin-2-ylmethylideneamino)-3H-2-benzofuran-1-one
CID 67386670
N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine
CID 122549135

Frequently Asked Questions

What is the IUPAC name of manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate?
The IUPAC name of manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate (CID 11826597) is manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate.
What is the SMILES notation for manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate?
The canonical SMILES for manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate is C(=N/c1ccccc1/N=C/c1ccccn1)\c1ccccn1.[Mn+3].[N-]=C=S.[N-]=C=S.
What is the InChIKey of manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate?
The InChIKey is DGRHVLMWAPEWNU-MYHDMYFSSA-N. The full InChI is InChI=1S/C18H14N4.2CNS.Mn/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15;2*2-1-3;/h1-14H;;;/q;2*-1;+3/b21-13+,22-14+;;;.
What are the key properties of manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate?
manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate has a molecular weight of 457.45 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate is sourced from PubChem (CID 11826597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).