copper(1+);cyclohexanethiolate

C6H11CuS — CID 18994013

IUPACcopper(1+);cyclohexanethiolate
SMILES[Cu+].[S-]C1CCCCC1
InChIInChI=1S/C6H12S.Cu/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1
InChIKeyIQWVXOQUZZVNPU-UHFFFAOYSA-M
MW178.77 g/mol
LogP1.86
Rot. Bonds

About copper(1+);cyclohexanethiolate

copper(1+);cyclohexanethiolate (PubChem CID 18994013) has the molecular formula C6H11CuS and a molecular weight of 178.77 g/mol. Its IUPAC name is copper(1+);cyclohexanethiolate.

Molecular Properties

Compound Namecopper(1+);cyclohexanethiolate
PubChem CID18994013
Molecular FormulaC6H11CuS
Molecular Weight178.77 g/mol
Exact Mass177.99
IUPAC Namecopper(1+);cyclohexanethiolate
SMILES[Cu+].[S-]C1CCCCC1
InChIInChI=1S/C6H12S.Cu/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1
InChIKeyIQWVXOQUZZVNPU-UHFFFAOYSA-M
XLogP1.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.77
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclohexanethiol
CID 15290
Cyclohexanesulfenyl chloride
CID 87312
Lithium cyclohexanethiolate
CID 11137158
(Methyldisulfanyl)cyclohexane
CID 13627491
Potassium cyclohexanethiolate
CID 23688000
Sodium cyclohexanethiolate
CID 23688014
Cyclohexyl thiohypofluorite
CID 176085162
Silver(i) cyclohexanethiolate
CID 129699713
Cyclohexyl-bis(sulfanylidene)-sulfido-lambda6-sulfane
CID 18339963
Cyclohexylsulfanyl thiohypochlorite
CID 20327307
Disulfanylcyclohexane
CID 20440095
Cyclohexanethiolate
CID 23432813

Frequently Asked Questions

What is the IUPAC name of copper(1+);cyclohexanethiolate?
The IUPAC name of copper(1+);cyclohexanethiolate (CID 18994013) is copper(1+);cyclohexanethiolate.
What is the SMILES notation for copper(1+);cyclohexanethiolate?
The canonical SMILES for copper(1+);cyclohexanethiolate is [Cu+].[S-]C1CCCCC1.
What is the InChIKey of copper(1+);cyclohexanethiolate?
The InChIKey is IQWVXOQUZZVNPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12S.Cu/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1.
What are the key properties of copper(1+);cyclohexanethiolate?
copper(1+);cyclohexanethiolate has a molecular weight of 178.77 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);cyclohexanethiolate is sourced from PubChem (CID 18994013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).