3-[diethoxy(methyl)silyl]propane-1-thiol

C8H20O2SSi — CID 18542002

IUPAC3-[diethoxy(methyl)silyl]propane-1-thiol
SMILESCCO[Si](C)(CCCS)OCC
InChIInChI=1S/C8H20O2SSi/c1-4-9-12(3,10-5-2)8-6-7-11/h11H,4-8H2,1-3H3
InChIKeyMBNRBJNIYVXSQV-UHFFFAOYSA-N
MW208.40 g/mol
LogP2.45
Rot. Bonds7

About 3-[diethoxy(methyl)silyl]propane-1-thiol

3-[diethoxy(methyl)silyl]propane-1-thiol (PubChem CID 18542002) has the molecular formula C8H20O2SSi and a molecular weight of 208.40 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propane-1-thiol
PubChem CID18542002
Molecular FormulaC8H20O2SSi
Molecular Weight208.40 g/mol
Exact Mass208.10
IUPAC Name3-[diethoxy(methyl)silyl]propane-1-thiol
SMILESCCO[Si](C)(CCCS)OCC
InChIInChI=1S/C8H20O2SSi/c1-4-9-12(3,10-5-2)8-6-7-11/h11H,4-8H2,1-3H3
InChIKeyMBNRBJNIYVXSQV-UHFFFAOYSA-N
XLogP2.45
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methyl)silyl]propane-1-thiol?
The IUPAC name of 3-[diethoxy(methyl)silyl]propane-1-thiol (CID 18542002) is 3-[diethoxy(methyl)silyl]propane-1-thiol.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propane-1-thiol?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propane-1-thiol is CCO[Si](C)(CCCS)OCC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propane-1-thiol?
The InChIKey is MBNRBJNIYVXSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O2SSi/c1-4-9-12(3,10-5-2)8-6-7-11/h11H,4-8H2,1-3H3.
What are the key properties of 3-[diethoxy(methyl)silyl]propane-1-thiol?
3-[diethoxy(methyl)silyl]propane-1-thiol has a molecular weight of 208.40 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propane-1-thiol is sourced from PubChem (CID 18542002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).