lithium 2-triethoxysilylethanethioate

C8H17LiO4SSi — CID 87593401

IUPAClithium 2-triethoxysilylethanethioate
SMILESCCO[Si](CC([O-])=S)(OCC)OCC.[Li+]
InChIInChI=1S/C8H18O4SSi.Li/c1-4-10-14(11-5-2,12-6-3)7-8(9)13;/h4-7H2,1-3H3,(H,9,13);/q;+1/p-1
InChIKeyUEEBNACQCGQOFI-UHFFFAOYSA-M
MW244.31 g/mol
LogP-2.27
Rot. Bonds8

About lithium 2-triethoxysilylethanethioate

lithium 2-triethoxysilylethanethioate (PubChem CID 87593401) has the molecular formula C8H17LiO4SSi and a molecular weight of 244.31 g/mol. Its IUPAC name is lithium 2-triethoxysilylethanethioate.

Molecular Properties

Compound Namelithium 2-triethoxysilylethanethioate
PubChem CID87593401
Molecular FormulaC8H17LiO4SSi
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Namelithium 2-triethoxysilylethanethioate
SMILESCCO[Si](CC([O-])=S)(OCC)OCC.[Li+]
InChIInChI=1S/C8H18O4SSi.Li/c1-4-10-14(11-5-2,12-6-3)7-8(9)13;/h4-7H2,1-3H3,(H,9,13);/q;+1/p-1
InChIKeyUEEBNACQCGQOFI-UHFFFAOYSA-M
XLogP-2.27
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 5-2.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-triethoxysilylpropan-2-one
CID 174838810
3-methyl-4-triethoxysilylbut-2-en-2-amine
CID 175093844
O-methyl N-(3-triethoxysilylpropyl)carbamothioate
CID 87560870
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
triethoxy(triethoxysilylmethoxymethyl)silane
CID 22616804
3-sulfanylidene-1-triethoxysilylnonan-4-one
CID 89287426
6-amino-1-triethoxysilylhexan-2-one
CID 91383810
triethoxy(triethoxysilylmethyltellanylmethyl)silane
CID 14507870
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
ethoxy(trioxido)silane
CID 53442617
dilithium;carbanide;trichloro(ethyl)silane;bis(triethoxy(ethyl)silane);bromide
CID 160902818
3-triethoxysilylpropanethial
CID 18619109

Frequently Asked Questions

What is the IUPAC name of lithium 2-triethoxysilylethanethioate?
The IUPAC name of lithium 2-triethoxysilylethanethioate (CID 87593401) is lithium 2-triethoxysilylethanethioate.
What is the SMILES notation for lithium 2-triethoxysilylethanethioate?
The canonical SMILES for lithium 2-triethoxysilylethanethioate is CCO[Si](CC([O-])=S)(OCC)OCC.[Li+].
What is the InChIKey of lithium 2-triethoxysilylethanethioate?
The InChIKey is UEEBNACQCGQOFI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18O4SSi.Li/c1-4-10-14(11-5-2,12-6-3)7-8(9)13;/h4-7H2,1-3H3,(H,9,13);/q;+1/p-1.
What are the key properties of lithium 2-triethoxysilylethanethioate?
lithium 2-triethoxysilylethanethioate has a molecular weight of 244.31 g/mol, XLogP of -2.27, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-triethoxysilylethanethioate is sourced from PubChem (CID 87593401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).