3-(2-methoxyethoxymethylsilyl)propane-1-thiol

C7H18O2SSi — CID 175584892

IUPAC3-(2-methoxyethoxymethylsilyl)propane-1-thiol
SMILESCOCCOC[SiH2]CCCS
InChIInChI=1S/C7H18O2SSi/c1-8-3-4-9-7-11-6-2-5-10/h10H,2-7,11H2,1H3
InChIKeyJWKSOAFSAXEHEC-UHFFFAOYSA-N
MW194.37 g/mol
LogP0.51
Rot. Bonds8

About 3-(2-methoxyethoxymethylsilyl)propane-1-thiol

3-(2-methoxyethoxymethylsilyl)propane-1-thiol (PubChem CID 175584892) has the molecular formula C7H18O2SSi and a molecular weight of 194.37 g/mol. Its IUPAC name is 3-(2-methoxyethoxymethylsilyl)propane-1-thiol.

Molecular Properties

Compound Name3-(2-methoxyethoxymethylsilyl)propane-1-thiol
PubChem CID175584892
Molecular FormulaC7H18O2SSi
Molecular Weight194.37 g/mol
Exact Mass194.08
IUPAC Name3-(2-methoxyethoxymethylsilyl)propane-1-thiol
SMILESCOCCOC[SiH2]CCCS
InChIInChI=1S/C7H18O2SSi/c1-8-3-4-9-7-11-6-2-5-10/h10H,2-7,11H2,1H3
InChIKeyJWKSOAFSAXEHEC-UHFFFAOYSA-N
XLogP0.51
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.37
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 86092592
9-[2-(3-methoxypropoxy)ethoxy]nonane-1-thiol
CID 103176254
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-(2-methoxyethoxy)-4-sulfanylbutan-2-one
CID 159103508
1-(2-methoxyethoxy)-N,N-dimethylmethanamine
CID 87415200
bis(5-methoxypentyl)silane
CID 175221855
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl-methylsilane
CID 58571398
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
3-sulfanylpropyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 101101896

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxymethylsilyl)propane-1-thiol?
The IUPAC name of 3-(2-methoxyethoxymethylsilyl)propane-1-thiol (CID 175584892) is 3-(2-methoxyethoxymethylsilyl)propane-1-thiol.
What is the SMILES notation for 3-(2-methoxyethoxymethylsilyl)propane-1-thiol?
The canonical SMILES for 3-(2-methoxyethoxymethylsilyl)propane-1-thiol is COCCOC[SiH2]CCCS.
What is the InChIKey of 3-(2-methoxyethoxymethylsilyl)propane-1-thiol?
The InChIKey is JWKSOAFSAXEHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O2SSi/c1-8-3-4-9-7-11-6-2-5-10/h10H,2-7,11H2,1H3.
What are the key properties of 3-(2-methoxyethoxymethylsilyl)propane-1-thiol?
3-(2-methoxyethoxymethylsilyl)propane-1-thiol has a molecular weight of 194.37 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxymethylsilyl)propane-1-thiol is sourced from PubChem (CID 175584892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).