zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane

C16H18N4S4Zn — CID 134109584

IUPACzinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane
SMILESCS/C([S-])=N/Nc1ccccc1.CS/C([S-])=N\Nc1ccccc1.[Zn+2]
InChIInChI=1S/2C8H10N2S2.Zn/c2*1-12-8(11)10-9-7-5-3-2-4-6-7;/h2*2-6,9H,1H3,(H,10,11);/q;;+2/p-2
InChIKeyOKHGSPPGUHVRJB-UHFFFAOYSA-L
MW460.01 g/mol
LogP4.56
Rot. Bonds4

About zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane

zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane (PubChem CID 134109584) has the molecular formula C16H18N4S4Zn and a molecular weight of 460.01 g/mol. Its IUPAC name is zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane.

Molecular Properties

Compound Namezinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane
PubChem CID134109584
Molecular FormulaC16H18N4S4Zn
Molecular Weight460.01 g/mol
Exact Mass457.97
IUPAC Namezinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane
SMILESCS/C([S-])=N/Nc1ccccc1.CS/C([S-])=N\Nc1ccccc1.[Zn+2]
InChIInChI=1S/2C8H10N2S2.Zn/c2*1-12-8(11)10-9-7-5-3-2-4-6-7;/h2*2-6,9H,1H3,(H,10,11);/q;;+2/p-2
InChIKeyOKHGSPPGUHVRJB-UHFFFAOYSA-L
XLogP4.56
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.01
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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'}

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Frequently Asked Questions

What is the IUPAC name of zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane?
The IUPAC name of zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane (CID 134109584) is zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane.
What is the SMILES notation for zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane?
The canonical SMILES for zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane is CS/C([S-])=N/Nc1ccccc1.CS/C([S-])=N\Nc1ccccc1.[Zn+2].
What is the InChIKey of zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane?
The InChIKey is OKHGSPPGUHVRJB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H10N2S2.Zn/c2*1-12-8(11)10-9-7-5-3-2-4-6-7;/h2*2-6,9H,1H3,(H,10,11);/q;;+2/p-2.
What are the key properties of zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane?
zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane has a molecular weight of 460.01 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;(E)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane;(Z)-methylsulfanyl-(phenylhydrazinylidene)-sulfidomethane is sourced from PubChem (CID 134109584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).