(Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)

C9H15N5NiOS2 — CID 153455618

IUPAC(Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)
SMILESCCO/C([S-])=N/N=C(C)/C(C)=N/N=C(\[S-])NC.[Ni+2]
InChIInChI=1S/C9H17N5OS2.Ni/c1-5-15-9(17)14-12-7(3)6(2)11-13-8(16)10-4;/h5H2,1-4H3,(H,14,17)(H2,10,13,16);/q;+2/p-2/b11-6+,12-7+;
InChIKeyMNQVBSBACMYPAO-BBLKRJOSSA-L
MW332.08 g/mol
LogP0.80
Rot. Bonds4

About (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)

(Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+) (PubChem CID 153455618) has the molecular formula C9H15N5NiOS2 and a molecular weight of 332.08 g/mol. Its IUPAC name is (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+).

Molecular Properties

Compound Name(Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)
PubChem CID153455618
Molecular FormulaC9H15N5NiOS2
Molecular Weight332.08 g/mol
Exact Mass331.01
IUPAC Name(Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)
SMILESCCO/C([S-])=N/N=C(C)/C(C)=N/N=C(\[S-])NC.[Ni+2]
InChIInChI=1S/C9H17N5OS2.Ni/c1-5-15-9(17)14-12-7(3)6(2)11-13-8(16)10-4;/h5H2,1-4H3,(H,14,17)(H2,10,13,16);/q;+2/p-2/b11-6+,12-7+;
InChIKeyMNQVBSBACMYPAO-BBLKRJOSSA-L
XLogP0.80
TPSA70.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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'}

Analyze (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper N-methyl-N'-[[1-[[methylamino(sulfido)methylidene]hydrazinylidene]-1-pyrimidin-2-ylpropan-2-ylidene]amino]carbamimidothioate
CID 161254972
zinc;N-methyl-N'-[3-[[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylideneamino]carbamimidothioate;1-methyl-3-[(E)-3-(2-sulfanylidenebutylimino)butan-2-ylideneamino]thiourea
CID 172987609
ethyl (NZ,1E)-N-(1-ethoxyethylidene)ethanehydrazonate
CID 13199093
ethyl N-(methylcarbamoyl)ethanimidate
CID 71371066
N-(diethoxymethylideneamino)methanamine
CID 23269000
ethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 131862809
(E)-1-ethoxy-N,N'-dimethylethene-1,2-diamine
CID 167034906
ethyl N-methylcarbamate;formaldehyde
CID 160650405
(E)-4-ethoxy-4-(methylamino)but-3-en-2-one
CID 45085695
ethyl (1E)-N-hydroxyethanimidate
CID 5363167
bis(ethoxymethanedithioate);platinum-191(2+)
CID 10048477
tris(ethoxymethanedithioate);nickel(3+)
CID 135393664

Frequently Asked Questions

What is the IUPAC name of (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)?
The IUPAC name of (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+) (CID 153455618) is (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+).
What is the SMILES notation for (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)?
The canonical SMILES for (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+) is CCO/C([S-])=N/N=C(C)/C(C)=N/N=C(\[S-])NC.[Ni+2].
What is the InChIKey of (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)?
The InChIKey is MNQVBSBACMYPAO-BBLKRJOSSA-L. The full InChI is InChI=1S/C9H17N5OS2.Ni/c1-5-15-9(17)14-12-7(3)6(2)11-13-8(16)10-4;/h5H2,1-4H3,(H,14,17)(H2,10,13,16);/q;+2/p-2/b11-6+,12-7+;.
What are the key properties of (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+)?
(Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+) has a molecular weight of 332.08 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-ethoxy-[(E)-[(3E)-3-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]butan-2-ylidene]hydrazinylidene]-sulfidomethane;nickel(2+) is sourced from PubChem (CID 153455618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).