(2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane

C9H20O3S2Si — CID 54048728

IUPAC(2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane
SMILESC=CSC(C[Si](OC)(OC)OC)SCC
InChIInChI=1S/C9H20O3S2Si/c1-6-13-9(14-7-2)8-15(10-3,11-4)12-5/h6,9H,1,7-8H2,2-5H3
InChIKeyLRJIBMCLTQRRGR-UHFFFAOYSA-N
MW268.48 g/mol
LogP2.82
Rot. Bonds9

About (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane

(2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane (PubChem CID 54048728) has the molecular formula C9H20O3S2Si and a molecular weight of 268.48 g/mol. Its IUPAC name is (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane.

Molecular Properties

Compound Name(2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane
PubChem CID54048728
Molecular FormulaC9H20O3S2Si
Molecular Weight268.48 g/mol
Exact Mass268.06
IUPAC Name(2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane
SMILESC=CSC(C[Si](OC)(OC)OC)SCC
InChIInChI=1S/C9H20O3S2Si/c1-6-13-9(14-7-2)8-15(10-3,11-4)12-5/h6,9H,1,7-8H2,2-5H3
InChIKeyLRJIBMCLTQRRGR-UHFFFAOYSA-N
XLogP2.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3,3-Dimethoxy-2-oxa-6,9-dithia-3-silaundec-10-ene
CID 57242898
3-(Vinylthio)propyltrimethoxysilane
CID 144019
3,3-Dimethoxy-2-oxa-7,10-dithia-3-siladodec-11-ene
CID 71381592
3,3-Dimethoxy-2-oxa-5,8-dithia-3-siladec-9-ene
CID 71382528
1-Ethenylsulfanylpropyl(trimethoxy)silane
CID 21425881
1-(1-Ethenylsulfanylethylsulfanyl)ethyl-trimethoxysilane
CID 21425885
Ethenyl-tris(2-methylsulfanylethoxy)silane
CID 54468266
2-(1,3-Dithiol-2-yl)ethyl-trimethoxysilane
CID 141037133
Ethenyl-diethoxy-(2-methylsulfanylethoxy)silane
CID 153327961
Ethenyl-ethoxy-bis(2-methylsulfanylethoxy)silane
CID 153327983
dimethoxy-methyl-[(E)-2-propan-2-ylsulfanylethenyl]silane
CID 12466326
2,2-Bis(propan-2-ylsulfanyl)ethyl-dimethoxy-methylsilane
CID 12466344

Frequently Asked Questions

What is the IUPAC name of (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane?
The IUPAC name of (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane (CID 54048728) is (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane.
What is the SMILES notation for (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane?
The canonical SMILES for (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane is C=CSC(C[Si](OC)(OC)OC)SCC.
What is the InChIKey of (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane?
The InChIKey is LRJIBMCLTQRRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S2Si/c1-6-13-9(14-7-2)8-15(10-3,11-4)12-5/h6,9H,1,7-8H2,2-5H3.
What are the key properties of (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane?
(2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane has a molecular weight of 268.48 g/mol, XLogP of 2.82, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylsulfanyl-2-ethylsulfanylethyl)-trimethoxysilane is sourced from PubChem (CID 54048728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).