lithium;hydride;S-triethoxysilyl ethanethioate

C8H19LiO4SSi — CID 173116064

IUPAClithium;hydride;S-triethoxysilyl ethanethioate
SMILESCCO[Si](OCC)(OCC)SC(C)=O.[H-].[Li+]
InChIInChI=1S/C8H18O4SSi.Li.H/c1-5-10-14(11-6-2,12-7-3)13-8(4)9;;/h5-7H2,1-4H3;;/q;+1;-1
InChIKeyZAKGKSLKIZGIFQ-UHFFFAOYSA-N
MW246.33 g/mol
LogP-1.07
Rot. Bonds7

About lithium;hydride;S-triethoxysilyl ethanethioate

lithium;hydride;S-triethoxysilyl ethanethioate (PubChem CID 173116064) has the molecular formula C8H19LiO4SSi and a molecular weight of 246.33 g/mol. Its IUPAC name is lithium;hydride;S-triethoxysilyl ethanethioate.

Molecular Properties

Compound Namelithium;hydride;S-triethoxysilyl ethanethioate
PubChem CID173116064
Molecular FormulaC8H19LiO4SSi
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Namelithium;hydride;S-triethoxysilyl ethanethioate
SMILESCCO[Si](OCC)(OCC)SC(C)=O.[H-].[Li+]
InChIInChI=1S/C8H18O4SSi.Li.H/c1-5-10-14(11-6-2,12-7-3)13-8(4)9;;/h5-7H2,1-4H3;;/q;+1;-1
InChIKeyZAKGKSLKIZGIFQ-UHFFFAOYSA-N
XLogP-1.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-triethoxysilylpropan-2-one
CID 174838810
[diacetyloxy(ethoxy)silyl] acetate
CID 12025413
CID 87594616
CID 87594616
[ethoxy(dihydroxy)silyl] acetate
CID 138401647
CID 159416386
CID 159416386
magnesium;ethoxy(trihydroxy)silane;hydride
CID 174951235
3-oxobutanoic acid;triethoxy-(propyltetrasulfanyl)silane
CID 175308306
(E)-2-methyl-3-triethoxysilylprop-2-enoic acid
CID 19437271
1-triethoxysilylsulfanylundecan-4-one
CID 141487269
N-methyl-1-triethoxysilylethanimine
CID 87985872
lithium;[bis(triethoxysilyl)methylsulfanyl-triethoxysilylmethyl]-triethoxysilane;hydride
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triethoxy-(methyltetrasulfanyl)silane
CID 174450070

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;S-triethoxysilyl ethanethioate?
The IUPAC name of lithium;hydride;S-triethoxysilyl ethanethioate (CID 173116064) is lithium;hydride;S-triethoxysilyl ethanethioate.
What is the SMILES notation for lithium;hydride;S-triethoxysilyl ethanethioate?
The canonical SMILES for lithium;hydride;S-triethoxysilyl ethanethioate is CCO[Si](OCC)(OCC)SC(C)=O.[H-].[Li+].
What is the InChIKey of lithium;hydride;S-triethoxysilyl ethanethioate?
The InChIKey is ZAKGKSLKIZGIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4SSi.Li.H/c1-5-10-14(11-6-2,12-7-3)13-8(4)9;;/h5-7H2,1-4H3;;/q;+1;-1.
What are the key properties of lithium;hydride;S-triethoxysilyl ethanethioate?
lithium;hydride;S-triethoxysilyl ethanethioate has a molecular weight of 246.33 g/mol, XLogP of -1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;S-triethoxysilyl ethanethioate is sourced from PubChem (CID 173116064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).