2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol

C12H20O3S2Si — CID 153327930

IUPAC2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol
SMILESCCO[Si](OCCS)(OCCS)c1ccccc1
InChIInChI=1S/C12H20O3S2Si/c1-2-13-18(14-8-10-16,15-9-11-17)12-6-4-3-5-7-12/h3-7,16-17H,2,8-11H2,1H3
InChIKeyIUSGEFBMZCBQPK-UHFFFAOYSA-N
MW304.51 g/mol
LogP1.76
Rot. Bonds9

About 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol

2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol (PubChem CID 153327930) has the molecular formula C12H20O3S2Si and a molecular weight of 304.51 g/mol. Its IUPAC name is 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol.

Molecular Properties

Compound Name2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol
PubChem CID153327930
Molecular FormulaC12H20O3S2Si
Molecular Weight304.51 g/mol
Exact Mass304.06
IUPAC Name2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol
SMILESCCO[Si](OCCS)(OCCS)c1ccccc1
InChIInChI=1S/C12H20O3S2Si/c1-2-13-18(14-8-10-16,15-9-11-17)12-6-4-3-5-7-12/h3-7,16-17H,2,8-11H2,1H3
InChIKeyIUSGEFBMZCBQPK-UHFFFAOYSA-N
XLogP1.76
TPSA27.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-[diethoxy(phenyl)silyl]oxypropane-1-thiol
CID 87401013
ethane;triethoxy(phenyl)silane
CID 174836592
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
fluorosilane;triethoxy(phenyl)silane
CID 174494490
boric acid;triethoxy(phenyl)silane
CID 174800585
[diethoxy(phenyl)silyl]oxy-diethoxy-phenylsilane
CID 14533277
dimethoxy(diphenyl)silane;triethoxy(phenyl)silane
CID 174286071
triethoxy-[4-(4-phenylphenyl)phenyl]silane
CID 59687607
phenyl-tri(propan-2-yloxy)silane;triethoxy(phenyl)silane
CID 159737253
2-(ethoxy-methoxy-phenylsilyl)oxyethanol
CID 140892700
3-[diethoxy(phenyl)silyl]propane-1-thiol
CID 23341373
diethoxy-phenyl-sulfanylsilane
CID 141237181

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol?
The IUPAC name of 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol (CID 153327930) is 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol.
What is the SMILES notation for 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol?
The canonical SMILES for 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol is CCO[Si](OCCS)(OCCS)c1ccccc1.
What is the InChIKey of 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol?
The InChIKey is IUSGEFBMZCBQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3S2Si/c1-2-13-18(14-8-10-16,15-9-11-17)12-6-4-3-5-7-12/h3-7,16-17H,2,8-11H2,1H3.
What are the key properties of 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol?
2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol has a molecular weight of 304.51 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol is sourced from PubChem (CID 153327930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).