copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)

C26H24CuN4S2+ — CID 140660307

IUPACcopper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
SMILESCSc1ccccc1/N=C/c1ccccn1.CSc1ccccc1/N=C/c1ccccn1.[Cu+]
InChIInChI=1S/2C13H12N2S.Cu/c2*1-16-13-8-3-2-7-12(13)15-10-11-6-4-5-9-14-11;/h2*2-10H,1H3;/q;;+1/b2*15-10+;
InChIKeyAUPDFDQJSAIDJD-ZQSWXEMLSA-N
MW520.19 g/mol
LogP7.11
Rot. Bonds6

About copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)

copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine) (PubChem CID 140660307) has the molecular formula C26H24CuN4S2+ and a molecular weight of 520.19 g/mol. Its IUPAC name is copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine).

Molecular Properties

Compound Namecopper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
PubChem CID140660307
Molecular FormulaC26H24CuN4S2+
Molecular Weight520.19 g/mol
Exact Mass519.07
IUPAC Namecopper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)
SMILESCSc1ccccc1/N=C/c1ccccn1.CSc1ccccc1/N=C/c1ccccn1.[Cu+]
InChIInChI=1S/2C13H12N2S.Cu/c2*1-16-13-8-3-2-7-12(13)15-10-11-6-4-5-9-14-11;/h2*2-10H,1H3;/q;;+1/b2*15-10+;
InChIKeyAUPDFDQJSAIDJD-ZQSWXEMLSA-N
XLogP7.11
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.19
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

manganese(3+);1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;diisothiocyanate
CID 11826597
bis(palladium(2+));1-pyridin-2-yl-N-[2-(pyridin-2-ylmethylideneamino)phenyl]methanimine;tetraacetate
CID 71620227
dioxidanium;copper;2-(pyridin-2-ylmethylideneamino)phenolate;bromide
CID 139147508
1-pyridin-2-yl-N-quinolin-8-ylmethanimine
CID 15764078
2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
CID 175288392
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
1-pyridin-2-yl-N,N'-bis[2-(pyridin-2-ylmethylideneamino)phenyl]methanediamine
CID 102340427
N,N-dimethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]pyridin-3-amine
CID 122549135
dichlorozinc;1,1,3,3-tetramethyl-2-[2-(pyridin-2-ylmethylideneamino)phenyl]guanidine
CID 175684000
N-[4-[3,4-bis(pyridin-2-ylmethylideneamino)phenoxy]-2-(pyridin-2-ylmethylideneamino)phenyl]-1-pyridin-2-ylmethanimine
CID 4616068
tetrakis(N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-2-ylmethanimine);zinc
CID 139116950
N-(2-tert-butylquinolin-8-yl)-1-pyridin-2-ylmethanimine
CID 101430447

Frequently Asked Questions

What is the IUPAC name of copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)?
The IUPAC name of copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine) (CID 140660307) is copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine).
What is the SMILES notation for copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)?
The canonical SMILES for copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine) is CSc1ccccc1/N=C/c1ccccn1.CSc1ccccc1/N=C/c1ccccn1.[Cu+].
What is the InChIKey of copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)?
The InChIKey is AUPDFDQJSAIDJD-ZQSWXEMLSA-N. The full InChI is InChI=1S/2C13H12N2S.Cu/c2*1-16-13-8-3-2-7-12(13)15-10-11-6-4-5-9-14-11;/h2*2-10H,1H3;/q;;+1/b2*15-10+;.
What are the key properties of copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine)?
copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine) has a molecular weight of 520.19 g/mol, XLogP of 7.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);bis(N-(2-methylsulfanylphenyl)-1-pyridin-2-ylmethanimine) is sourced from PubChem (CID 140660307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).