copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride

C15H14ClCuN3S2 — CID 139024330

IUPACcopper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride
SMILESC/C(=N\N=C(/[S-])SCc1ccccc1)c1ccccn1.[Cl-].[Cu+2]
InChIInChI=1S/C15H15N3S2.ClH.Cu/c1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;;/h2-10H,11H2,1H3,(H,18,19);1H;/q;;+2/p-2/b17-12+;;
InChIKeyMGXCRQNCPJBYKM-CWQUOYFRSA-L
MW399.43 g/mol
LogP0.64
Rot. Bonds4

About copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride

copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride (PubChem CID 139024330) has the molecular formula C15H14ClCuN3S2 and a molecular weight of 399.43 g/mol. Its IUPAC name is copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride.

Molecular Properties

Compound Namecopper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride
PubChem CID139024330
Molecular FormulaC15H14ClCuN3S2
Molecular Weight399.43 g/mol
Exact Mass397.96
IUPAC Namecopper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride
SMILESC/C(=N\N=C(/[S-])SCc1ccccc1)c1ccccn1.[Cl-].[Cu+2]
InChIInChI=1S/C15H15N3S2.ClH.Cu/c1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;;/h2-10H,11H2,1H3,(H,18,19);1H;/q;;+2/p-2/b17-12+;;
InChIKeyMGXCRQNCPJBYKM-CWQUOYFRSA-L
XLogP0.64
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

bis(benzyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate);copper
CID 50911424
bis(benzyl N-(1-pyridin-2-ylethylideneamino)carbamodithioate);zinc
CID 50919422
bis((E)-benzylsulfanyl-[(E)-1-(furan-2-yl)ethylidenehydrazinylidene]-sulfidomethane);lead(2+)
CID 15973330
benzyl N-[(Z)-1-pyridin-2-ylethylideneamino]carbamodithioate;benzyl N-[(E)-1-pyridin-2-ylethylideneamino]carbamodithioate;dimethyltin
CID 20843990
bis([benzylsulfanyl(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide);zinc
CID 5016029
CID 152756166
CID 152756166
copper [N,N-diethyl-N'-(1-pyridin-2-ylethylideneamino)carbamimidoyl]sulfanium
CID 50909621
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
aluminum;dioxido(phenyl)borane;N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate
CID 90661699
2-(4-phenylbut-2-en-2-yl)pyridine
CID 175479491
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
bis([N,N-diethyl-N'-(1-pyridin-2-ylethylideneamino)carbamimidoyl]sulfanium);nickel(2+)
CID 5036858

Frequently Asked Questions

What is the IUPAC name of copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride?
The IUPAC name of copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride (CID 139024330) is copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride.
What is the SMILES notation for copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride?
The canonical SMILES for copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride is C/C(=N\N=C(/[S-])SCc1ccccc1)c1ccccn1.[Cl-].[Cu+2].
What is the InChIKey of copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride?
The InChIKey is MGXCRQNCPJBYKM-CWQUOYFRSA-L. The full InChI is InChI=1S/C15H15N3S2.ClH.Cu/c1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;;/h2-10H,11H2,1H3,(H,18,19);1H;/q;;+2/p-2/b17-12+;;.
What are the key properties of copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride?
copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride has a molecular weight of 399.43 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(E)-benzylsulfanyl-[(E)-1-pyridin-2-ylethylidenehydrazinylidene]-sulfidomethane;chloride is sourced from PubChem (CID 139024330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).