potassium cyclohexanethiolate

C6H11KS — CID 23688000

IUPACpotassium cyclohexanethiolate
SMILES[K+].[S-]C1CCCCC1
InChIInChI=1S/C6H12S.K/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1
InChIKeyPKZCROKAFAXTPK-UHFFFAOYSA-M
MW154.32 g/mol
LogP-1.13
Rot. Bonds

About potassium cyclohexanethiolate

potassium cyclohexanethiolate (PubChem CID 23688000) has the molecular formula C6H11KS and a molecular weight of 154.32 g/mol. Its IUPAC name is potassium cyclohexanethiolate.

Molecular Properties

Compound Namepotassium cyclohexanethiolate
PubChem CID23688000
Molecular FormulaC6H11KS
Molecular Weight154.32 g/mol
Exact Mass154.02
IUPAC Namepotassium cyclohexanethiolate
SMILES[K+].[S-]C1CCCCC1
InChIInChI=1S/C6H12S.K/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1
InChIKeyPKZCROKAFAXTPK-UHFFFAOYSA-M
XLogP-1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.32
LogP ≤ 5-1.13
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
Sodium cyclohexanethiolate
CID 23688014
Cyclohexyl thiohypofluorite
CID 176085162
Silver(i) cyclohexanethiolate
CID 129699713
Cyclohexyl-bis(sulfanylidene)-sulfido-lambda6-sulfane
CID 18339963
Copper(1+);cyclohexanethiolate
CID 18994013
Cyclohexylsulfanyl thiohypochlorite
CID 20327307
Disulfanylcyclohexane
CID 20440095
Cyclohexanethiolate
CID 23432813

Frequently Asked Questions

What is the IUPAC name of potassium cyclohexanethiolate?
The IUPAC name of potassium cyclohexanethiolate (CID 23688000) is potassium cyclohexanethiolate.
What is the SMILES notation for potassium cyclohexanethiolate?
The canonical SMILES for potassium cyclohexanethiolate is [K+].[S-]C1CCCCC1.
What is the InChIKey of potassium cyclohexanethiolate?
The InChIKey is PKZCROKAFAXTPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12S.K/c7-6-4-2-1-3-5-6;/h6-7H,1-5H2;/q;+1/p-1.
What are the key properties of potassium cyclohexanethiolate?
potassium cyclohexanethiolate has a molecular weight of 154.32 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium cyclohexanethiolate is sourced from PubChem (CID 23688000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).