cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one

C20H24CoN2O2S — CID 5379821

IUPACcobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/NCCCSCCCN/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/C20H24N2O2S.Co/c23-19-9-3-1-7-17(19)15-21-11-5-13-25-14-6-12-22-16-18-8-2-4-10-20(18)24;/h1-4,7-10,15-16,21-22H,5-6,11-14H2;/b17-15-,18-16-;
InChIKeyMOLGFHXHAGHDQJ-OWILEKGLSA-N
MW415.42 g/mol
LogP2.83
Rot. Bonds10

About cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one

cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one (PubChem CID 5379821) has the molecular formula C20H24CoN2O2S and a molecular weight of 415.42 g/mol. Its IUPAC name is cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Namecobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
PubChem CID5379821
Molecular FormulaC20H24CoN2O2S
Molecular Weight415.42 g/mol
Exact Mass415.09
IUPAC Namecobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C/C1=C/NCCCSCCCN/C=C1/C=CC=CC1=O.[Co]
InChIInChI=1S/C20H24N2O2S.Co/c23-19-9-3-1-7-17(19)15-21-11-5-13-25-14-6-12-22-16-18-8-2-4-10-20(18)24;/h1-4,7-10,15-16,21-22H,5-6,11-14H2;/b17-15-,18-16-;
InChIKeyMOLGFHXHAGHDQJ-OWILEKGLSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one with MolForge

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Related Compounds

bis((6Z)-6-[[2,2-bis(methylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);nickel
CID 5370043
bis((6Z)-6-[[2,2-bis(methylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);cobalt
CID 5377000
bis((6Z)-6-[[2,2-bis(methylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);zinc
CID 5377046
bis((6Z)-6-[[2,2-bis(methylsulfanyl)ethylamino]methylidene]cyclohexa-2,4-dien-1-one);copper
CID 5378623
cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylamino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379717
nickel;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379812
copper;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one
CID 5379835

Frequently Asked Questions

What is the IUPAC name of cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The IUPAC name of cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one (CID 5379821) is cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The canonical SMILES for cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one is O=C1C=CC=C/C1=C/NCCCSCCCN/C=C1/C=CC=CC1=O.[Co].
What is the InChIKey of cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
The InChIKey is MOLGFHXHAGHDQJ-OWILEKGLSA-N. The full InChI is InChI=1S/C20H24N2O2S.Co/c23-19-9-3-1-7-17(19)15-21-11-5-13-25-14-6-12-22-16-18-8-2-4-10-20(18)24;/h1-4,7-10,15-16,21-22H,5-6,11-14H2;/b17-15-,18-16-;.
What are the key properties of cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one?
cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one has a molecular weight of 415.42 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;(6Z)-6-[[3-[3-[[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propylsulfanyl]propylamino]methylidene]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 5379821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).