dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide

C11H16Cl2CuN4S — CID 3389171

IUPACdichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide
SMILESCl[Cu]Cl.[H]/[S+]=C(/[N-]N=Cc1ccccn1)N(CC)CC
InChIInChI=1S/C11H16N4S.2ClH.Cu/c1-3-15(4-2)11(16)14-13-9-10-7-5-6-8-12-10;;;/h5-9H,3-4H2,1-2H3,(H,12,14,16);2*1H;/q;;;+2/p-2
InChIKeyUQVWSYYXPISKTI-UHFFFAOYSA-L
MW370.80 g/mol
LogP2.87
Rot. Bonds4

About dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide

dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide (PubChem CID 3389171) has the molecular formula C11H16Cl2CuN4S and a molecular weight of 370.80 g/mol. Its IUPAC name is dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide.

Molecular Properties

Compound Namedichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide
PubChem CID3389171
Molecular FormulaC11H16Cl2CuN4S
Molecular Weight370.80 g/mol
Exact Mass368.98
IUPAC Namedichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide
SMILESCl[Cu]Cl.[H]/[S+]=C(/[N-]N=Cc1ccccn1)N(CC)CC
InChIInChI=1S/C11H16N4S.2ClH.Cu/c1-3-15(4-2)11(16)14-13-9-10-7-5-6-8-12-10;;;/h5-9H,3-4H2,1-2H3,(H,12,14,16);2*1H;/q;;;+2/p-2
InChIKeyUQVWSYYXPISKTI-UHFFFAOYSA-L
XLogP2.87
TPSA42.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[benzylsulfanyl(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide;chlorocopper
CID 3904172
bis([benzylsulfanyl(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide);copper
CID 3344493
[amino(sulfoniumylidene)methyl]-[(E)-pyridin-2-ylmethylideneamino]azanide;iron;sulfuric acid
CID 16678006
copper [(benzylamino)-sulfoniumylidenemethyl]-(pyridin-2-ylmethylideneamino)azanide
CID 135401859
copper [[methyl(2-pyridin-2-ylethyl)amino]-sulfoniumylidenemethyl]-[(6-methyl-2-pyridinyl)methylideneamino]azanide
CID 5235739
copper [azepan-1-yl(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide
CID 3764126
dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
CID 3565596
copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
CID 3852051
N-propyl-1-pyridin-2-ylmethanimine
CID 11205848
1-butyl-3-(pyridin-2-ylmethylideneamino)thiourea;dichlorocopper
CID 3005763
manganese(2+);pyridin-2-yl-(pyridin-2-ylmethylideneamino)azanide
CID 3585581
zinc bis(phenyl-[(Z)-pyridin-2-ylmethylideneamino]azanide)
CID 139168715

Frequently Asked Questions

What is the IUPAC name of dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide?
The IUPAC name of dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide (CID 3389171) is dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide.
What is the SMILES notation for dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide?
The canonical SMILES for dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide is Cl[Cu]Cl.[H]/[S+]=C(/[N-]N=Cc1ccccn1)N(CC)CC.
What is the InChIKey of dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide?
The InChIKey is UQVWSYYXPISKTI-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H16N4S.2ClH.Cu/c1-3-15(4-2)11(16)14-13-9-10-7-5-6-8-12-10;;;/h5-9H,3-4H2,1-2H3,(H,12,14,16);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide?
dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide has a molecular weight of 370.80 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;[diethylamino(sulfoniumylidene)methyl]-(pyridin-2-ylmethylideneamino)azanide is sourced from PubChem (CID 3389171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).