zinc 4-chlorobenzenethiol

C6H5ClSZn+2 — CID 22352029

IUPACzinc 4-chlorobenzenethiol
SMILESSc1ccc(Cl)cc1.[Zn+2]
InChIInChI=1S/C6H5ClS.Zn/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+2
InChIKeyLTOKAEJIJSDBJS-UHFFFAOYSA-N
MW210.02 g/mol
LogP2.63
Rot. Bonds

About zinc 4-chlorobenzenethiol

zinc 4-chlorobenzenethiol (PubChem CID 22352029) has the molecular formula C6H5ClSZn+2 and a molecular weight of 210.02 g/mol. Its IUPAC name is zinc 4-chlorobenzenethiol.

Molecular Properties

Compound Namezinc 4-chlorobenzenethiol
PubChem CID22352029
Molecular FormulaC6H5ClSZn+2
Molecular Weight210.02 g/mol
Exact Mass207.91
IUPAC Namezinc 4-chlorobenzenethiol
SMILESSc1ccc(Cl)cc1.[Zn+2]
InChIInChI=1S/C6H5ClS.Zn/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+2
InChIKeyLTOKAEJIJSDBJS-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.02
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc 4-chlorobenzenethiol?
The IUPAC name of zinc 4-chlorobenzenethiol (CID 22352029) is zinc 4-chlorobenzenethiol.
What is the SMILES notation for zinc 4-chlorobenzenethiol?
The canonical SMILES for zinc 4-chlorobenzenethiol is Sc1ccc(Cl)cc1.[Zn+2].
What is the InChIKey of zinc 4-chlorobenzenethiol?
The InChIKey is LTOKAEJIJSDBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClS.Zn/c7-5-1-3-6(8)4-2-5;/h1-4,8H;/q;+2.
What are the key properties of zinc 4-chlorobenzenethiol?
zinc 4-chlorobenzenethiol has a molecular weight of 210.02 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 4-chlorobenzenethiol is sourced from PubChem (CID 22352029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).