2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane

C8H18O3S2Si — CID 71382528

IUPAC2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane
SMILESC=CSCCSC[Si](OC)(OC)OC
InChIInChI=1S/C8H18O3S2Si/c1-5-12-6-7-13-8-14(9-2,10-3)11-4/h5H,1,6-8H2,2-4H3
InChIKeyDITZETPKINTBJZ-UHFFFAOYSA-N
MW254.45 g/mol
LogP2.01
Rot. Bonds9

About 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane

2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane (PubChem CID 71382528) has the molecular formula C8H18O3S2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane.

Molecular Properties

Compound Name2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane
PubChem CID71382528
Molecular FormulaC8H18O3S2Si
Molecular Weight254.45 g/mol
Exact Mass254.05
IUPAC Name2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane
SMILESC=CSCCSC[Si](OC)(OC)OC
InChIInChI=1S/C8H18O3S2Si/c1-5-12-6-7-13-8-14(9-2,10-3)11-4/h5H,1,6-8H2,2-4H3
InChIKeyDITZETPKINTBJZ-UHFFFAOYSA-N
XLogP2.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane?
The IUPAC name of 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane (CID 71382528) is 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane.
What is the SMILES notation for 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane?
The canonical SMILES for 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane is C=CSCCSC[Si](OC)(OC)OC.
What is the InChIKey of 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane?
The InChIKey is DITZETPKINTBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3S2Si/c1-5-12-6-7-13-8-14(9-2,10-3)11-4/h5H,1,6-8H2,2-4H3.
What are the key properties of 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane?
2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane has a molecular weight of 254.45 g/mol, XLogP of 2.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylethylsulfanylmethyl(trimethoxy)silane is sourced from PubChem (CID 71382528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).