2-(ethyliminomethyl)benzenethiolate;zinc

C9H10NSZn- — CID 59680566

IUPAC2-(ethyliminomethyl)benzenethiolate;zinc
SMILESCC/N=C/c1ccccc1[S-].[Zn]
InChIInChI=1S/C9H11NS.Zn/c1-2-10-7-8-5-3-4-6-9(8)11;/h3-7,11H,2H2,1H3;/p-1/b10-7+;
InChIKeyVLDLEQLUOZGDMD-HCUGZAAXSA-M
MW229.64 g/mol
LogP2.03
Rot. Bonds2

About 2-(ethyliminomethyl)benzenethiolate;zinc

2-(ethyliminomethyl)benzenethiolate;zinc (PubChem CID 59680566) has the molecular formula C9H10NSZn- and a molecular weight of 229.64 g/mol. Its IUPAC name is 2-(ethyliminomethyl)benzenethiolate;zinc.

Molecular Properties

Compound Name2-(ethyliminomethyl)benzenethiolate;zinc
PubChem CID59680566
Molecular FormulaC9H10NSZn-
Molecular Weight229.64 g/mol
Exact Mass227.98
IUPAC Name2-(ethyliminomethyl)benzenethiolate;zinc
SMILESCC/N=C/c1ccccc1[S-].[Zn]
InChIInChI=1S/C9H11NS.Zn/c1-2-10-7-8-5-3-4-6-9(8)11;/h3-7,11H,2H2,1H3;/p-1/b10-7+;
InChIKeyVLDLEQLUOZGDMD-HCUGZAAXSA-M
XLogP2.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 2-(ethyliminomethyl)benzenethiolate;zinc?
The IUPAC name of 2-(ethyliminomethyl)benzenethiolate;zinc (CID 59680566) is 2-(ethyliminomethyl)benzenethiolate;zinc.
What is the SMILES notation for 2-(ethyliminomethyl)benzenethiolate;zinc?
The canonical SMILES for 2-(ethyliminomethyl)benzenethiolate;zinc is CC/N=C/c1ccccc1[S-].[Zn].
What is the InChIKey of 2-(ethyliminomethyl)benzenethiolate;zinc?
The InChIKey is VLDLEQLUOZGDMD-HCUGZAAXSA-M. The full InChI is InChI=1S/C9H11NS.Zn/c1-2-10-7-8-5-3-4-6-9(8)11;/h3-7,11H,2H2,1H3;/p-1/b10-7+;.
What are the key properties of 2-(ethyliminomethyl)benzenethiolate;zinc?
2-(ethyliminomethyl)benzenethiolate;zinc has a molecular weight of 229.64 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethyliminomethyl)benzenethiolate;zinc is sourced from PubChem (CID 59680566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).