2-(2-trimethoxysilylethylsulfanyl)ethanethiol

C7H18O3S2Si — CID 57057435

IUPAC2-(2-trimethoxysilylethylsulfanyl)ethanethiol
SMILESCO[Si](CCSCCS)(OC)OC
InChIInChI=1S/C7H18O3S2Si/c1-8-13(9-2,10-3)7-6-12-5-4-11/h11H,4-7H2,1-3H3
InChIKeyFNUZHVSMSWLXQJ-UHFFFAOYSA-N
MW242.44 g/mol
LogP1.53
Rot. Bonds8

About 2-(2-trimethoxysilylethylsulfanyl)ethanethiol

2-(2-trimethoxysilylethylsulfanyl)ethanethiol (PubChem CID 57057435) has the molecular formula C7H18O3S2Si and a molecular weight of 242.44 g/mol. Its IUPAC name is 2-(2-trimethoxysilylethylsulfanyl)ethanethiol.

Molecular Properties

Compound Name2-(2-trimethoxysilylethylsulfanyl)ethanethiol
PubChem CID57057435
Molecular FormulaC7H18O3S2Si
Molecular Weight242.44 g/mol
Exact Mass242.05
IUPAC Name2-(2-trimethoxysilylethylsulfanyl)ethanethiol
SMILESCO[Si](CCSCCS)(OC)OC
InChIInChI=1S/C7H18O3S2Si/c1-8-13(9-2,10-3)7-6-12-5-4-11/h11H,4-7H2,1-3H3
InChIKeyFNUZHVSMSWLXQJ-UHFFFAOYSA-N
XLogP1.53
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.44
LogP ≤ 51.53
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

3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
CID 86093563
2-(2-triethoxysilylethylsulfanyl)ethanethiol
CID 13068518
2-(2-trimethoxysilylethylsulfanyl)ethanol
CID 71335611
2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
2-hexylsulfanylethyl(trimethoxy)silane
CID 159878767
trimethoxy-[2-(2-trimethoxysilylethyldisulfanyl)ethyl]silane
CID 23263588
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
trimethoxy-[2-(2-trimethoxysilylethylhexasulfanyl)ethyl]silane
CID 54287941
bis(2-butylsulfanylethyl)-bis[2-(3-trimethoxysilylpropylsulfanyl)ethyl]silane
CID 159584863
2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
CID 158899446
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463

Frequently Asked Questions

What is the IUPAC name of 2-(2-trimethoxysilylethylsulfanyl)ethanethiol?
The IUPAC name of 2-(2-trimethoxysilylethylsulfanyl)ethanethiol (CID 57057435) is 2-(2-trimethoxysilylethylsulfanyl)ethanethiol.
What is the SMILES notation for 2-(2-trimethoxysilylethylsulfanyl)ethanethiol?
The canonical SMILES for 2-(2-trimethoxysilylethylsulfanyl)ethanethiol is CO[Si](CCSCCS)(OC)OC.
What is the InChIKey of 2-(2-trimethoxysilylethylsulfanyl)ethanethiol?
The InChIKey is FNUZHVSMSWLXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O3S2Si/c1-8-13(9-2,10-3)7-6-12-5-4-11/h11H,4-7H2,1-3H3.
What are the key properties of 2-(2-trimethoxysilylethylsulfanyl)ethanethiol?
2-(2-trimethoxysilylethylsulfanyl)ethanethiol has a molecular weight of 242.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-trimethoxysilylethylsulfanyl)ethanethiol is sourced from PubChem (CID 57057435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).