potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride

C7H17KO3SSi — CID 173116192

IUPACpotassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride
SMILESCCO[Si](C)(OCC)OC(C)=S.[H-].[K+]
InChIInChI=1S/C7H16O3SSi.K.H/c1-5-8-12(4,9-6-2)10-7(3)11;;/h5-6H2,1-4H3;;/q;+1;-1
InChIKeyIXAFOWVUSJSBRV-UHFFFAOYSA-N
MW248.46 g/mol
LogP-0.89
Rot. Bonds5

About potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride

potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride (PubChem CID 173116192) has the molecular formula C7H17KO3SSi and a molecular weight of 248.46 g/mol. Its IUPAC name is potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride.

Molecular Properties

Compound Namepotassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride
PubChem CID173116192
Molecular FormulaC7H17KO3SSi
Molecular Weight248.46 g/mol
Exact Mass248.03
IUPAC Namepotassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride
SMILESCCO[Si](C)(OCC)OC(C)=S.[H-].[K+]
InChIInChI=1S/C7H16O3SSi.K.H/c1-5-8-12(4,9-6-2)10-7(3)11;;/h5-6H2,1-4H3;;/q;+1;-1
InChIKeyIXAFOWVUSJSBRV-UHFFFAOYSA-N
XLogP-0.89
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.46
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethoxy(methyl)silane
CID 16241
O-[2-[diethoxy(methyl)silyl]ethyl] ethanethioate
CID 57259196
triethoxy(methyl)silane;hydrate
CID 159569985
magnesium;triethoxy(methyl)silane;dichloride
CID 175052336
ethoxy-dimethoxy-methylsilane
CID 15798621
ethane-1,2-diamine;triethoxy(methyl)silane
CID 158658037
chloro-[diethoxy(methyl)silyl]oxy-dimethylsilane
CID 87588224
[diethoxy(methyl)silyl] 2,2-bis(sulfanyl)butanoate
CID 87594075
ethane;triethoxy(methyl)silane;trimethoxy(methyl)silane
CID 174970780
[diethoxy(methyl)silyl] 3,3-bis(sulfanyl)pentanoate
CID 87594957
[diethoxy(methyl)silyl] 5-sulfanylpentanoate
CID 90805416
diethoxy-methyl-(oxiran-2-yloxy)silane
CID 175444356

Frequently Asked Questions

What is the IUPAC name of potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride?
The IUPAC name of potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride (CID 173116192) is potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride.
What is the SMILES notation for potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride?
The canonical SMILES for potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride is CCO[Si](C)(OCC)OC(C)=S.[H-].[K+].
What is the InChIKey of potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride?
The InChIKey is IXAFOWVUSJSBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3SSi.K.H/c1-5-8-12(4,9-6-2)10-7(3)11;;/h5-6H2,1-4H3;;/q;+1;-1.
What are the key properties of potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride?
potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride has a molecular weight of 248.46 g/mol, XLogP of -0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;O-[diethoxy(methyl)silyl] ethanethioate;hydride is sourced from PubChem (CID 173116192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).