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

C6H16O2SSi — CID 2759524

IUPAC3-[dimethoxy(methyl)silyl]propane-1-thiol
SMILESCO[Si](C)(CCCS)OC
InChIInChI=1S/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3
InChIKeyIKYAJDOSWUATPI-UHFFFAOYSA-N
MW180.34 g/mol
LogP1.67
Rot. Bonds5

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

3-[dimethoxy(methyl)silyl]propane-1-thiol (PubChem CID 2759524) has the molecular formula C6H16O2SSi and a molecular weight of 180.34 g/mol. Its IUPAC name is 3-[dimethoxy(methyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[dimethoxy(methyl)silyl]propane-1-thiol
PubChem CID2759524
Molecular FormulaC6H16O2SSi
Molecular Weight180.34 g/mol
Exact Mass180.06
IUPAC Name3-[dimethoxy(methyl)silyl]propane-1-thiol
SMILESCO[Si](C)(CCCS)OC
InChIInChI=1S/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3
InChIKeyIKYAJDOSWUATPI-UHFFFAOYSA-N
XLogP1.67
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 51.67
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-[dimethoxy(methyl)silyl]propane-1-thiol?
The IUPAC name of 3-[dimethoxy(methyl)silyl]propane-1-thiol (CID 2759524) is 3-[dimethoxy(methyl)silyl]propane-1-thiol.
What is the SMILES notation for 3-[dimethoxy(methyl)silyl]propane-1-thiol?
The canonical SMILES for 3-[dimethoxy(methyl)silyl]propane-1-thiol is CO[Si](C)(CCCS)OC.
What is the InChIKey of 3-[dimethoxy(methyl)silyl]propane-1-thiol?
The InChIKey is IKYAJDOSWUATPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2SSi/c1-7-10(3,8-2)6-4-5-9/h9H,4-6H2,1-3H3.
What are the key properties of 3-[dimethoxy(methyl)silyl]propane-1-thiol?
3-[dimethoxy(methyl)silyl]propane-1-thiol has a molecular weight of 180.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(methyl)silyl]propane-1-thiol is sourced from PubChem (CID 2759524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).