copper(1+);3-methoxybenzenethiolate

C7H7CuOS — CID 119092830

IUPACcopper(1+);3-methoxybenzenethiolate
SMILESCOc1cccc([S-])c1.[Cu+]
InChIInChI=1S/C7H8OS.Cu/c1-8-6-3-2-4-7(9)5-6;/h2-5,9H,1H3;/q;+1/p-1
InChIKeyXLVFDRZEMUSCAO-UHFFFAOYSA-M
MW202.75 g/mol
LogP1.60
Rot. Bonds1

About copper(1+);3-methoxybenzenethiolate

copper(1+);3-methoxybenzenethiolate (PubChem CID 119092830) has the molecular formula C7H7CuOS and a molecular weight of 202.75 g/mol. Its IUPAC name is copper(1+);3-methoxybenzenethiolate.

Molecular Properties

Compound Namecopper(1+);3-methoxybenzenethiolate
PubChem CID119092830
Molecular FormulaC7H7CuOS
Molecular Weight202.75 g/mol
Exact Mass201.95
IUPAC Namecopper(1+);3-methoxybenzenethiolate
SMILESCOc1cccc([S-])c1.[Cu+]
InChIInChI=1S/C7H8OS.Cu/c1-8-6-3-2-4-7(9)5-6;/h2-5,9H,1H3;/q;+1/p-1
InChIKeyXLVFDRZEMUSCAO-UHFFFAOYSA-M
XLogP1.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.75
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper(1+);3-methoxybenzenethiolate?
The IUPAC name of copper(1+);3-methoxybenzenethiolate (CID 119092830) is copper(1+);3-methoxybenzenethiolate.
What is the SMILES notation for copper(1+);3-methoxybenzenethiolate?
The canonical SMILES for copper(1+);3-methoxybenzenethiolate is COc1cccc([S-])c1.[Cu+].
What is the InChIKey of copper(1+);3-methoxybenzenethiolate?
The InChIKey is XLVFDRZEMUSCAO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8OS.Cu/c1-8-6-3-2-4-7(9)5-6;/h2-5,9H,1H3;/q;+1/p-1.
What are the key properties of copper(1+);3-methoxybenzenethiolate?
copper(1+);3-methoxybenzenethiolate has a molecular weight of 202.75 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);3-methoxybenzenethiolate is sourced from PubChem (CID 119092830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).