potassium octane-1-thiolate

C8H17KS — CID 23682502

IUPACpotassium octane-1-thiolate
SMILESCCCCCCCC[S-].[K+]
InChIInChI=1S/C8H18S.K/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;/q;+1/p-1
InChIKeyIIGMSXRRFDOISC-UHFFFAOYSA-M
MW184.39 g/mol
LogP-0.10
Rot. Bonds6

About potassium octane-1-thiolate

potassium octane-1-thiolate (PubChem CID 23682502) has the molecular formula C8H17KS and a molecular weight of 184.39 g/mol. Its IUPAC name is potassium octane-1-thiolate.

Molecular Properties

Compound Namepotassium octane-1-thiolate
PubChem CID23682502
Molecular FormulaC8H17KS
Molecular Weight184.39 g/mol
Exact Mass184.07
IUPAC Namepotassium octane-1-thiolate
SMILESCCCCCCCC[S-].[K+]
InChIInChI=1S/C8H18S.K/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;/q;+1/p-1
InChIKeyIIGMSXRRFDOISC-UHFFFAOYSA-M
XLogP-0.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

docosane-1-thiolate
CID 102062479
silver hexadecane-1-thiolate
CID 100970430
silver octadecane-1-thiolate
CID 22348633
CID 173438464
CID 173438464
hexane-1-thiolate;titanium(4+)
CID 172788894
gold(1+);tetradecane-1-thiolate
CID 118692951
manganese(2+);bis(octane-1-thiolate)
CID 88657665
bis(decane-1-thiolate);dimethyltin(2+)
CID 21453567
mercury(2+);pentane-1-thiolate;iodide
CID 101041651
CID 134927802
CID 134927802
dioctyltin(2+);bis(octane-1-thiolate)
CID 23177277
tetrakis(butane-1-thiolate);tin(4+)
CID 102601027

Frequently Asked Questions

What is the IUPAC name of potassium octane-1-thiolate?
The IUPAC name of potassium octane-1-thiolate (CID 23682502) is potassium octane-1-thiolate.
What is the SMILES notation for potassium octane-1-thiolate?
The canonical SMILES for potassium octane-1-thiolate is CCCCCCCC[S-].[K+].
What is the InChIKey of potassium octane-1-thiolate?
The InChIKey is IIGMSXRRFDOISC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18S.K/c1-2-3-4-5-6-7-8-9;/h9H,2-8H2,1H3;/q;+1/p-1.
What are the key properties of potassium octane-1-thiolate?
potassium octane-1-thiolate has a molecular weight of 184.39 g/mol, XLogP of -0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium octane-1-thiolate is sourced from PubChem (CID 23682502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).