zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate

C12H15N5S2Zn — CID 139068771

IUPACzinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
SMILESCN(C)CC/N=C/c1ccccn1.[N-]=C=S.[N-]=C=S.[Zn+2]
InChIInChI=1S/C10H15N3.2CNS.Zn/c1-13(2)8-7-11-9-10-5-3-4-6-12-10;2*2-1-3;/h3-6,9H,7-8H2,1-2H3;;;/q;2*-1;+2/b11-9+;;;
InChIKeyQUZKGHVGTQSULU-OOQPXJNPSA-N
MW358.81 g/mol
LogP2.38
Rot. Bonds4

About zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate

zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate (PubChem CID 139068771) has the molecular formula C12H15N5S2Zn and a molecular weight of 358.81 g/mol. Its IUPAC name is zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate.

Molecular Properties

Compound Namezinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
PubChem CID139068771
Molecular FormulaC12H15N5S2Zn
Molecular Weight358.81 g/mol
Exact Mass357.01
IUPAC Namezinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate
SMILESCN(C)CC/N=C/c1ccccn1.[N-]=C=S.[N-]=C=S.[Zn+2]
InChIInChI=1S/C10H15N3.2CNS.Zn/c1-13(2)8-7-11-9-10-5-3-4-6-12-10;2*2-1-3;/h3-6,9H,7-8H2,1-2H3;;;/q;2*-1;+2/b11-9+;;;
InChIKeyQUZKGHVGTQSULU-OOQPXJNPSA-N
XLogP2.38
TPSA73.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
N',N'-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethane-1,2-diamine
CID 135011278
cadmium(2+);2-(pyridin-2-ylmethylideneamino)-N,N-bis[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine;diperchlorate
CID 139071417
N-(pyridin-2-ylmethyl)-2-(pyridin-2-ylmethylideneamino)-N-[2-(pyridin-2-ylmethylideneamino)ethyl]ethanamine
CID 102034985
N-methyl-2-(pyridin-2-ylmethylideneamino)ethanamine
CID 101461429
dicopper;bis(N,N-dimethyl-2-(1-pyridin-2-ylethylideneamino)ethanamine);tetraisothiocyanate
CID 139081439
manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
N-(2-phenylethyl)-1-pyridin-2-ylmethanimine
CID 15790389
2-[2-(pyridin-2-ylmethylideneamino)ethyliminomethyl]phenol
CID 136763146
(1Z,5Z)-cycloocta-1,5-diene;N-ethyl-1-pyridin-2-ylmethanimine;rhodium;chloride
CID 6442081
dichloropalladium;N-dodecyl-1-pyridin-2-ylmethanimine
CID 11190208
2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol
CID 71362573

Frequently Asked Questions

What is the IUPAC name of zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate?
The IUPAC name of zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate (CID 139068771) is zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate.
What is the SMILES notation for zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate?
The canonical SMILES for zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate is CN(C)CC/N=C/c1ccccn1.[N-]=C=S.[N-]=C=S.[Zn+2].
What is the InChIKey of zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate?
The InChIKey is QUZKGHVGTQSULU-OOQPXJNPSA-N. The full InChI is InChI=1S/C10H15N3.2CNS.Zn/c1-13(2)8-7-11-9-10-5-3-4-6-12-10;2*2-1-3;/h3-6,9H,7-8H2,1-2H3;;;/q;2*-1;+2/b11-9+;;;.
What are the key properties of zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate?
zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate has a molecular weight of 358.81 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;N,N-dimethyl-2-(pyridin-2-ylmethylideneamino)ethanamine;diisothiocyanate is sourced from PubChem (CID 139068771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).