dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide

C15H16Cl2CuN4S — CID 3565596

IUPACdichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
SMILESCl[Cu]Cl.[H]/[S+]=C(/[N-]N=C(c1ccccc1)c1ccccn1)N(C)C
InChIInChI=1S/C15H16N4S.2ClH.Cu/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;;;/h3-11H,1-2H3,(H,16,18,20);2*1H;/q;;;+2/p-2
InChIKeyGNFUXPGFBRVJAK-UHFFFAOYSA-L
MW418.84 g/mol
LogP3.51
Rot. Bonds3

About dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide

dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide (PubChem CID 3565596) has the molecular formula C15H16Cl2CuN4S and a molecular weight of 418.84 g/mol. Its IUPAC name is dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide.

Molecular Properties

Compound Namedichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
PubChem CID3565596
Molecular FormulaC15H16Cl2CuN4S
Molecular Weight418.84 g/mol
Exact Mass416.98
IUPAC Namedichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide
SMILESCl[Cu]Cl.[H]/[S+]=C(/[N-]N=C(c1ccccc1)c1ccccn1)N(C)C
InChIInChI=1S/C15H16N4S.2ClH.Cu/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;;;/h3-11H,1-2H3,(H,16,18,20);2*1H;/q;;;+2/p-2
InChIKeyGNFUXPGFBRVJAK-UHFFFAOYSA-L
XLogP3.51
TPSA42.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 53.51
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

N-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]aniline
CID 90750813
cerium(3+);tris(N-oxido-1-phenyl-1-pyridin-2-ylmethanimine)
CID 50910437
cerium(3+);tris((E)-N-oxido-1-phenyl-1-pyridin-2-ylmethanimine);chloride
CID 54608591
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
copper [(dipropylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide
CID 3852051
dichlorocopper;1,1-diethyl-3-[[phenyl(pyridin-2-yl)methylidene]amino]thiourea
CID 3005727
[(cyclopentylamino)-sulfoniumylidenemethyl]-(1-pyridin-2-ylethylideneamino)azanide;dichlorocopper
CID 135469415
copper;phenylcarbamothioyl-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]azanide;azide
CID 11626280
chlorocopper;methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamodithioate
CID 50910622
1-phenyl-N-[(1R)-1-phenylethyl]-1-pyridin-2-ylmethanimine
CID 102238244
gallium bis([amino(sulfoniumylidene)methyl]-(1-pyridin-2-ylethylideneamino)azanide)
CID 3746529
N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;N'-(dipyridin-2-ylmethylideneamino)-N,N-dimethylcarbamimidothioate;nickel(2+)
CID 25193514

Frequently Asked Questions

What is the IUPAC name of dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide?
The IUPAC name of dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide (CID 3565596) is dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide.
What is the SMILES notation for dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide?
The canonical SMILES for dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide is Cl[Cu]Cl.[H]/[S+]=C(/[N-]N=C(c1ccccc1)c1ccccn1)N(C)C.
What is the InChIKey of dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide?
The InChIKey is GNFUXPGFBRVJAK-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H16N4S.2ClH.Cu/c1-19(2)15(20)18-17-14(12-8-4-3-5-9-12)13-10-6-7-11-16-13;;;/h3-11H,1-2H3,(H,16,18,20);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide?
dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide has a molecular weight of 418.84 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorocopper;[dimethylamino(sulfoniumylidene)methyl]-[[phenyl(pyridin-2-yl)methylidene]amino]azanide is sourced from PubChem (CID 3565596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).