copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate

C10H18CuN6S2 — CID 23275296

IUPACcopper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate
SMILESCCCCC(/C=N\N/C([S-])=N/C)=N/N/C([S-])=N/C.[Cu+2]
InChIInChI=1S/C10H20N6S2.Cu/c1-4-5-6-8(14-16-10(18)12-3)7-13-15-9(17)11-2;/h7H,4-6H2,1-3H3,(H2,11,15,17)(H2,12,16,18);/q;+2/p-2/b13-7-,14-8-;
InChIKeyMVIVMLZZXAVGDW-QMRHWWNPSA-L
MW349.98 g/mol
LogP0.76
Rot. Bonds6

About copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate

copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate (PubChem CID 23275296) has the molecular formula C10H18CuN6S2 and a molecular weight of 349.98 g/mol. Its IUPAC name is copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate.

Molecular Properties

Compound Namecopper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate
PubChem CID23275296
Molecular FormulaC10H18CuN6S2
Molecular Weight349.98 g/mol
Exact Mass349.03
IUPAC Namecopper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate
SMILESCCCCC(/C=N\N/C([S-])=N/C)=N/N/C([S-])=N/C.[Cu+2]
InChIInChI=1S/C10H20N6S2.Cu/c1-4-5-6-8(14-16-10(18)12-3)7-13-15-9(17)11-2;/h7H,4-6H2,1-3H3,(H2,11,15,17)(H2,12,16,18);/q;+2/p-2/b13-7-,14-8-;
InChIKeyMVIVMLZZXAVGDW-QMRHWWNPSA-L
XLogP0.76
TPSA73.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.98
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea
CID 23266274
zinc N'-methyl-N-[(E)-[(2E)-2-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]ethylidene]amino]carbamimidothioate
CID 24952078
N'-[(C,N-dimethylcarbonimidoyl)amino]pentanimidamide
CID 123587898
methyl N-methylpentanimidate
CID 89172529
N-methyldodec-2-en-4-imine
CID 123853785
2-methyl-1-[(E)-pentylideneamino]guanidine
CID 126544495
N-(dodecylideneamino)hydroxylamine
CID 91556209
N-(1-hydroxyiminooctan-2-ylidene)hydroxylamine
CID 141296672
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-hept-2-en-3-ylethanimine
CID 23597524
azanium pentanethioate
CID 141017525

Frequently Asked Questions

What is the IUPAC name of copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate?
The IUPAC name of copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate (CID 23275296) is copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate.
What is the SMILES notation for copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate?
The canonical SMILES for copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate is CCCCC(/C=N\N/C([S-])=N/C)=N/N/C([S-])=N/C.[Cu+2].
What is the InChIKey of copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate?
The InChIKey is MVIVMLZZXAVGDW-QMRHWWNPSA-L. The full InChI is InChI=1S/C10H20N6S2.Cu/c1-4-5-6-8(14-16-10(18)12-3)7-13-15-9(17)11-2;/h7H,4-6H2,1-3H3,(H2,11,15,17)(H2,12,16,18);/q;+2/p-2/b13-7-,14-8-;.
What are the key properties of copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate?
copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate has a molecular weight of 349.98 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper N'-methyl-N-[(Z)-[(1Z)-1-[(N-methyl-C-sulfidocarbonimidoyl)hydrazinylidene]hexan-2-ylidene]amino]carbamimidothioate is sourced from PubChem (CID 23275296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).