3,3,3-trimethoxy-1-silylpropane-1-thiol

C6H16O3SSi — CID 123154391

IUPAC3,3,3-trimethoxy-1-silylpropane-1-thiol
SMILESCOC(CC([SiH3])S)(OC)OC
InChIInChI=1S/C6H16O3SSi/c1-7-6(8-2,9-3)4-5(10)11/h5,10H,4H2,1-3,11H3
InChIKeyQHGHQSXUCNLAGL-UHFFFAOYSA-N
MW196.34 g/mol
LogP-0.41
Rot. Bonds5

About 3,3,3-trimethoxy-1-silylpropane-1-thiol

3,3,3-trimethoxy-1-silylpropane-1-thiol (PubChem CID 123154391) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is 3,3,3-trimethoxy-1-silylpropane-1-thiol.

Molecular Properties

Compound Name3,3,3-trimethoxy-1-silylpropane-1-thiol
PubChem CID123154391
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name3,3,3-trimethoxy-1-silylpropane-1-thiol
SMILESCOC(CC([SiH3])S)(OC)OC
InChIInChI=1S/C6H16O3SSi/c1-7-6(8-2,9-3)4-5(10)11/h5,10H,4H2,1-3,11H3
InChIKeyQHGHQSXUCNLAGL-UHFFFAOYSA-N
XLogP-0.41
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 3,3,3-trimethoxy-1-silylpropane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trimethoxy-1-silylpropane-1-thiol?
The IUPAC name of 3,3,3-trimethoxy-1-silylpropane-1-thiol (CID 123154391) is 3,3,3-trimethoxy-1-silylpropane-1-thiol.
What is the SMILES notation for 3,3,3-trimethoxy-1-silylpropane-1-thiol?
The canonical SMILES for 3,3,3-trimethoxy-1-silylpropane-1-thiol is COC(CC([SiH3])S)(OC)OC.
What is the InChIKey of 3,3,3-trimethoxy-1-silylpropane-1-thiol?
The InChIKey is QHGHQSXUCNLAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi/c1-7-6(8-2,9-3)4-5(10)11/h5,10H,4H2,1-3,11H3.
What are the key properties of 3,3,3-trimethoxy-1-silylpropane-1-thiol?
3,3,3-trimethoxy-1-silylpropane-1-thiol has a molecular weight of 196.34 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trimethoxy-1-silylpropane-1-thiol is sourced from PubChem (CID 123154391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).