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

C12H18CuN2S2 — CID 6432420

IUPACcopper (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-].[Cu+2]
InChIInChI=1S/C12H20N2S2.Cu/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+;
InChIKeyIWBWOYVGUXTYEZ-IMJRPSDRSA-L
MW317.97 g/mol
LogP2.81
Rot. Bonds5

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

copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate (PubChem CID 6432420) has the molecular formula C12H18CuN2S2 and a molecular weight of 317.97 g/mol. Its IUPAC name is copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate.

Molecular Properties

Compound Namecopper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate
PubChem CID6432420
Molecular FormulaC12H18CuN2S2
Molecular Weight317.97 g/mol
Exact Mass317.02
IUPAC Namecopper (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-].[Cu+2]
InChIInChI=1S/C12H20N2S2.Cu/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+;
InChIKeyIWBWOYVGUXTYEZ-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 ≤ 500317.97
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'}

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Frequently Asked Questions

What is the IUPAC name of copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate?
The IUPAC name of copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate (CID 6432420) is copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate.
What is the SMILES notation for copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate?
The canonical SMILES for copper (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-].[Cu+2].
What is the InChIKey of copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate?
The InChIKey is IWBWOYVGUXTYEZ-IMJRPSDRSA-L. The full InChI is InChI=1S/C12H20N2S2.Cu/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 copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate?
copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate has a molecular weight of 317.97 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 copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate is sourced from PubChem (CID 6432420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).