nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate

C12H18N2NiS2 — CID 6432423

IUPACnickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate
SMILESC/C([S-])=C/C(C)=N/CC/N=C(C)/C=C(/C)[S-].[Ni+2]
InChIInChI=1S/C12H20N2S2.Ni/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h7-8,15-16H,5-6H2,1-4H3;/q;+2/p-2/b11-7-,12-8-,13-9+,14-10+;
InChIKeyDWLAVIQNTNKSOC-IMJRPSDRSA-L
MW313.12 g/mol
LogP2.81
Rot. Bonds5

About nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate

nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate (PubChem CID 6432423) has the molecular formula C12H18N2NiS2 and a molecular weight of 313.12 g/mol. Its IUPAC name is nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate.

Molecular Properties

Compound Namenickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate
PubChem CID6432423
Molecular FormulaC12H18N2NiS2
Molecular Weight313.12 g/mol
Exact Mass312.03
IUPAC Namenickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate
SMILESC/C([S-])=C/C(C)=N/CC/N=C(C)/C=C(/C)[S-].[Ni+2]
InChIInChI=1S/C12H20N2S2.Ni/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h7-8,15-16H,5-6H2,1-4H3;/q;+2/p-2/b11-7-,12-8-,13-9+,14-10+;
InChIKeyDWLAVIQNTNKSOC-IMJRPSDRSA-L
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate?
The IUPAC name of nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate (CID 6432423) is nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate.
What is the SMILES notation for nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate?
The canonical SMILES for nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate is C/C([S-])=C/C(C)=N/CC/N=C(C)/C=C(/C)[S-].[Ni+2].
What is the InChIKey of nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate?
The InChIKey is DWLAVIQNTNKSOC-IMJRPSDRSA-L. The full InChI is InChI=1S/C12H20N2S2.Ni/c1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;/h7-8,15-16H,5-6H2,1-4H3;/q;+2/p-2/b11-7-,12-8-,13-9+,14-10+;.
What are the key properties of nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate?
nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate has a molecular weight of 313.12 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);(Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate is sourced from PubChem (CID 6432423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).