2-(2-triethoxysilylethylsulfanyl)ethanethiol

C10H24O3S2Si — CID 13068518

IUPAC2-(2-triethoxysilylethylsulfanyl)ethanethiol
SMILESCCO[Si](CCSCCS)(OCC)OCC
InChIInChI=1S/C10H24O3S2Si/c1-4-11-16(12-5-2,13-6-3)10-9-15-8-7-14/h14H,4-10H2,1-3H3
InChIKeyAJBAHWPSLXBTOW-UHFFFAOYSA-N
MW284.52 g/mol
LogP2.70
Rot. Bonds11

About 2-(2-triethoxysilylethylsulfanyl)ethanethiol

2-(2-triethoxysilylethylsulfanyl)ethanethiol (PubChem CID 13068518) has the molecular formula C10H24O3S2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is 2-(2-triethoxysilylethylsulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(2-triethoxysilylethylsulfanyl)ethanethiol
PubChem CID13068518
Molecular FormulaC10H24O3S2Si
Molecular Weight284.52 g/mol
Exact Mass284.09
IUPAC Name2-(2-triethoxysilylethylsulfanyl)ethanethiol
SMILESCCO[Si](CCSCCS)(OCC)OCC
InChIInChI=1S/C10H24O3S2Si/c1-4-11-16(12-5-2,13-6-3)10-9-15-8-7-14/h14H,4-10H2,1-3H3
InChIKeyAJBAHWPSLXBTOW-UHFFFAOYSA-N
XLogP2.70
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-trimethoxysilylethylsulfanyl)ethanethiol
CID 57057435
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
29-triethoxysilylnonacosane-1-thiol
CID 87683851
20-triethoxysilylicosane-1-thiol
CID 87684173
triethoxy(3-undecylsulfanylpropyl)silane
CID 173288680
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
CID 86093563
triethoxy(2-triethylsilylsulfanylethyl)silane
CID 162392108
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
2-[(E)-but-1-enyl]sulfanylethyl-triethoxysilane
CID 88825199
2-but-1-enylsulfanylethyl(triethoxy)silane
CID 154418740

Frequently Asked Questions

What is the IUPAC name of 2-(2-triethoxysilylethylsulfanyl)ethanethiol?
The IUPAC name of 2-(2-triethoxysilylethylsulfanyl)ethanethiol (CID 13068518) is 2-(2-triethoxysilylethylsulfanyl)ethanethiol.
What is the SMILES notation for 2-(2-triethoxysilylethylsulfanyl)ethanethiol?
The canonical SMILES for 2-(2-triethoxysilylethylsulfanyl)ethanethiol is CCO[Si](CCSCCS)(OCC)OCC.
What is the InChIKey of 2-(2-triethoxysilylethylsulfanyl)ethanethiol?
The InChIKey is AJBAHWPSLXBTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24O3S2Si/c1-4-11-16(12-5-2,13-6-3)10-9-15-8-7-14/h14H,4-10H2,1-3H3.
What are the key properties of 2-(2-triethoxysilylethylsulfanyl)ethanethiol?
2-(2-triethoxysilylethylsulfanyl)ethanethiol has a molecular weight of 284.52 g/mol, XLogP of 2.70, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-triethoxysilylethylsulfanyl)ethanethiol is sourced from PubChem (CID 13068518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).