zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate

C7H8NS2Zn+ — CID 168677982

IUPACzinc 5-ethyl-3-methanimidoylthiophene-2-thiolate
SMILES[H]/N=C/c1cc(CC)sc1[S-].[Zn+2]
InChIInChI=1S/C7H9NS2.Zn/c1-2-6-3-5(4-8)7(9)10-6;/h3-4,8-9H,2H2,1H3;/q;+2/p-1/b8-4+;
InChIKeyJHAOHVKJXMHEBZ-ZFXMFRGYSA-M
MW235.67 g/mol
LogP2.21
Rot. Bonds2

About zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate

zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate (PubChem CID 168677982) has the molecular formula C7H8NS2Zn+ and a molecular weight of 235.67 g/mol. Its IUPAC name is zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate.

Molecular Properties

Compound Namezinc 5-ethyl-3-methanimidoylthiophene-2-thiolate
PubChem CID168677982
Molecular FormulaC7H8NS2Zn+
Molecular Weight235.67 g/mol
Exact Mass233.94
IUPAC Namezinc 5-ethyl-3-methanimidoylthiophene-2-thiolate
SMILES[H]/N=C/c1cc(CC)sc1[S-].[Zn+2]
InChIInChI=1S/C7H9NS2.Zn/c1-2-6-3-5(4-8)7(9)10-6;/h3-4,8-9H,2H2,1H3;/q;+2/p-1/b8-4+;
InChIKeyJHAOHVKJXMHEBZ-ZFXMFRGYSA-M
XLogP2.21
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate?
The IUPAC name of zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate (CID 168677982) is zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate.
What is the SMILES notation for zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate?
The canonical SMILES for zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate is [H]/N=C/c1cc(CC)sc1[S-].[Zn+2].
What is the InChIKey of zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate?
The InChIKey is JHAOHVKJXMHEBZ-ZFXMFRGYSA-M. The full InChI is InChI=1S/C7H9NS2.Zn/c1-2-6-3-5(4-8)7(9)10-6;/h3-4,8-9H,2H2,1H3;/q;+2/p-1/b8-4+;.
What are the key properties of zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate?
zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate has a molecular weight of 235.67 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5-ethyl-3-methanimidoylthiophene-2-thiolate is sourced from PubChem (CID 168677982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).