3-(diethoxymethylsilyl)propane-1-thiol

C8H20O2SSi — CID 57348202

IUPAC3-(diethoxymethylsilyl)propane-1-thiol
SMILESCCOC(OCC)[SiH2]CCCS
InChIInChI=1S/C8H20O2SSi/c1-3-9-8(10-4-2)12-7-5-6-11/h8,11H,3-7,12H2,1-2H3
InChIKeyBDLNYQVUTQYAGX-UHFFFAOYSA-N
MW208.40 g/mol
LogP1.25
Rot. Bonds8

About 3-(diethoxymethylsilyl)propane-1-thiol

3-(diethoxymethylsilyl)propane-1-thiol (PubChem CID 57348202) has the molecular formula C8H20O2SSi and a molecular weight of 208.40 g/mol. Its IUPAC name is 3-(diethoxymethylsilyl)propane-1-thiol.

Molecular Properties

Compound Name3-(diethoxymethylsilyl)propane-1-thiol
PubChem CID57348202
Molecular FormulaC8H20O2SSi
Molecular Weight208.40 g/mol
Exact Mass208.10
IUPAC Name3-(diethoxymethylsilyl)propane-1-thiol
SMILESCCOC(OCC)[SiH2]CCCS
InChIInChI=1S/C8H20O2SSi/c1-3-9-8(10-4-2)12-7-5-6-11/h8,11H,3-7,12H2,1-2H3
InChIKeyBDLNYQVUTQYAGX-UHFFFAOYSA-N
XLogP1.25
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 51.25
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(diethoxymethylsilyl)propane-1-thiol?
The IUPAC name of 3-(diethoxymethylsilyl)propane-1-thiol (CID 57348202) is 3-(diethoxymethylsilyl)propane-1-thiol.
What is the SMILES notation for 3-(diethoxymethylsilyl)propane-1-thiol?
The canonical SMILES for 3-(diethoxymethylsilyl)propane-1-thiol is CCOC(OCC)[SiH2]CCCS.
What is the InChIKey of 3-(diethoxymethylsilyl)propane-1-thiol?
The InChIKey is BDLNYQVUTQYAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O2SSi/c1-3-9-8(10-4-2)12-7-5-6-11/h8,11H,3-7,12H2,1-2H3.
What are the key properties of 3-(diethoxymethylsilyl)propane-1-thiol?
3-(diethoxymethylsilyl)propane-1-thiol has a molecular weight of 208.40 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxymethylsilyl)propane-1-thiol is sourced from PubChem (CID 57348202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).