potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol

C20H35KO2S — CID 175472561

IUPACpotassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol
SMILESCCCCCCCCCc1ccc(OCCOCCCS)cc1.[H-].[K+]
InChIInChI=1S/C20H34O2S.K.H/c1-2-3-4-5-6-7-8-10-19-11-13-20(14-12-19)22-17-16-21-15-9-18-23;;/h11-14,23H,2-10,15-18H2,1H3;;/q;+1;-1
InChIKeyMAPWJOWUAFTVSX-UHFFFAOYSA-N
MW378.66 g/mol
LogP2.81
Rot. Bonds15

About potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol

potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol (PubChem CID 175472561) has the molecular formula C20H35KO2S and a molecular weight of 378.66 g/mol. Its IUPAC name is potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol.

Molecular Properties

Compound Namepotassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol
PubChem CID175472561
Molecular FormulaC20H35KO2S
Molecular Weight378.66 g/mol
Exact Mass378.20
IUPAC Namepotassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol
SMILESCCCCCCCCCc1ccc(OCCOCCCS)cc1.[H-].[K+]
InChIInChI=1S/C20H34O2S.K.H/c1-2-3-4-5-6-7-8-10-19-11-13-20(14-12-19)22-17-16-21-15-9-18-23;;/h11-14,23H,2-10,15-18H2,1H3;;/q;+1;-1
InChIKeyMAPWJOWUAFTVSX-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol 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

1-(2-icosoxyethoxy)-4-nonylbenzene
CID 175309903
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
1-hexoxy-4-pentylbenzene
CID 54277450
potassium 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonate
CID 3488058
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 132605048
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 102201991
sodium;hydride;2-[2-(4-octylphenoxy)ethoxy]ethyl ethanesulfonate
CID 173317917
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane-1-sulfonic acid
CID 161490776
sodium 3-[2-[2-[2-(4-tridecylphenoxy)ethoxy]ethoxy]ethoxy]propane-1-sulfonate
CID 23522406
6-[3-(4-hexoxyphenyl)propoxy]hexan-1-amine
CID 158087179

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol?
The IUPAC name of potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol (CID 175472561) is potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol.
What is the SMILES notation for potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol?
The canonical SMILES for potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol is CCCCCCCCCc1ccc(OCCOCCCS)cc1.[H-].[K+].
What is the InChIKey of potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol?
The InChIKey is MAPWJOWUAFTVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2S.K.H/c1-2-3-4-5-6-7-8-10-19-11-13-20(14-12-19)22-17-16-21-15-9-18-23;;/h11-14,23H,2-10,15-18H2,1H3;;/q;+1;-1.
What are the key properties of potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol?
potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol has a molecular weight of 378.66 g/mol, XLogP of 2.81, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;3-[2-(4-nonylphenoxy)ethoxy]propane-1-thiol is sourced from PubChem (CID 175472561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).