cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate

C28H22CoN4O2S2 — CID 135691300

IUPACcobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate
SMILESO=C1C=CC=C/C1=C/N/N=C(\[S-])c1ccccc1.Oc1ccccc1/C=N\N=C(/[S-])c1ccccc1.[Co+2]
InChIInChI=1S/2C14H12N2OS.Co/c2*17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;/h1-10,17H,(H,16,18);1-10,15H,(H,16,18);/q;;+2/p-2/b15-10-;12-10-;
InChIKeySOLDXTCJGNFOPP-UAOBUEQESA-L
MW569.58 g/mol
LogP4.78
Rot. Bonds6

About cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate

cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate (PubChem CID 135691300) has the molecular formula C28H22CoN4O2S2 and a molecular weight of 569.58 g/mol. Its IUPAC name is cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate.

Molecular Properties

Compound Namecobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate
PubChem CID135691300
Molecular FormulaC28H22CoN4O2S2
Molecular Weight569.58 g/mol
Exact Mass569.05
IUPAC Namecobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate
SMILESO=C1C=CC=C/C1=C/N/N=C(\[S-])c1ccccc1.Oc1ccccc1/C=N\N=C(/[S-])c1ccccc1.[Co+2]
InChIInChI=1S/2C14H12N2OS.Co/c2*17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;/h1-10,17H,(H,16,18);1-10,15H,(H,16,18);/q;;+2/p-2/b15-10-;12-10-;
InChIKeySOLDXTCJGNFOPP-UAOBUEQESA-L
XLogP4.78
TPSA86.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.58
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis((NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate);nickel(2+)
CID 135409864
6-[[hydroxy-[2-[(2-hydroxyphenyl)methylideneamino]ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one
CID 173276549
(1E)-1-[(2-hydroxyphenyl)methylidene]-3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea;nickel;quinolin-8-ol
CID 135591817
[(E)-(2-hydroxyphenyl)methylideneamino] benzoate
CID 135684142
1-hydroxy-2-[(2-hydroxyphenyl)methylideneamino]guanidine
CID 142114039
2-[(E)-(1,3-diphenylbut-2-enylidenehydrazinylidene)methyl]phenol
CID 135751843
2-[[[phenyl(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinylidene]methyl]phenol
CID 171138102
2-[(E)-[bis(methylsulfanyl)methylidenehydrazinylidene]methyl]phenol
CID 135545744
2-[(Z)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-methylcarbonimidoyl]benzoic acid
CID 177416207
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
2-[(E)-[(E)-[4-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenyl]methylidenehydrazinylidene]methyl]phenol
CID 135911153
4-[(E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-C-phenylcarbonimidoyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 154592094

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate?
The IUPAC name of cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate (CID 135691300) is cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate.
What is the SMILES notation for cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate?
The canonical SMILES for cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate is O=C1C=CC=C/C1=C/N/N=C(\[S-])c1ccccc1.Oc1ccccc1/C=N\N=C(/[S-])c1ccccc1.[Co+2].
What is the InChIKey of cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate?
The InChIKey is SOLDXTCJGNFOPP-UAOBUEQESA-L. The full InChI is InChI=1S/2C14H12N2OS.Co/c2*17-13-9-5-4-8-12(13)10-15-16-14(18)11-6-2-1-3-7-11;/h1-10,17H,(H,16,18);1-10,15H,(H,16,18);/q;;+2/p-2/b15-10-;12-10-;.
What are the key properties of cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate?
cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate has a molecular weight of 569.58 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);(NZ,Z)-N-[(2-hydroxyphenyl)methylidene]benzenecarbohydrazonothioate;(Z)-N-[(Z)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenecarbohydrazonothioate is sourced from PubChem (CID 135691300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).