potassium;dodecane-1-thiol;hydride

C12H27KS — CID 173164517

IUPACpotassium;dodecane-1-thiol;hydride
SMILESCCCCCCCCCCCCS.[H-].[K+]
InChIInChI=1S/C12H26S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h13H,2-12H2,1H3;;/q;+1;-1
InChIKeyJGNGSVDXIXSHEY-UHFFFAOYSA-N
MW242.51 g/mol
LogP1.95
Rot. Bonds10

About potassium;dodecane-1-thiol;hydride

potassium;dodecane-1-thiol;hydride (PubChem CID 173164517) has the molecular formula C12H27KS and a molecular weight of 242.51 g/mol. Its IUPAC name is potassium;dodecane-1-thiol;hydride.

Molecular Properties

Compound Namepotassium;dodecane-1-thiol;hydride
PubChem CID173164517
Molecular FormulaC12H27KS
Molecular Weight242.51 g/mol
Exact Mass242.15
IUPAC Namepotassium;dodecane-1-thiol;hydride
SMILESCCCCCCCCCCCCS.[H-].[K+]
InChIInChI=1S/C12H26S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h13H,2-12H2,1H3;;/q;+1;-1
InChIKeyJGNGSVDXIXSHEY-UHFFFAOYSA-N
XLogP1.95
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium;dodecane-1-thiol;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

decane-1-thiol
CID 8917
octadecane-1-thiol;octane-1-thiol
CID 158706451
decane-1-thiol;undecane-1-thiol
CID 174806736
dodecane-1-thiol
CID 8195
dodecane-1-thiol;palladium
CID 174472866
bis(octadecane-1-thiol);zinc
CID 87094547
bis(dodecane-1-thiol);zinc
CID 87094417
cobalt;dodecane-1-thiol
CID 158588427
CID 160700659
CID 160700659
iron;octane-1-thiol
CID 174785470
dodecane-1-thiol;methanol
CID 160961310
bis(pentane-1-thiol);zinc
CID 87496779

Frequently Asked Questions

What is the IUPAC name of potassium;dodecane-1-thiol;hydride?
The IUPAC name of potassium;dodecane-1-thiol;hydride (CID 173164517) is potassium;dodecane-1-thiol;hydride.
What is the SMILES notation for potassium;dodecane-1-thiol;hydride?
The canonical SMILES for potassium;dodecane-1-thiol;hydride is CCCCCCCCCCCCS.[H-].[K+].
What is the InChIKey of potassium;dodecane-1-thiol;hydride?
The InChIKey is JGNGSVDXIXSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26S.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13;;/h13H,2-12H2,1H3;;/q;+1;-1.
What are the key properties of potassium;dodecane-1-thiol;hydride?
potassium;dodecane-1-thiol;hydride has a molecular weight of 242.51 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;dodecane-1-thiol;hydride is sourced from PubChem (CID 173164517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).