1-[tris(1-methoxyethoxy)silyl]propane-1-thiol

C12H28O6SSi — CID 19836222

IUPAC1-[tris(1-methoxyethoxy)silyl]propane-1-thiol
SMILESCCC(S)[Si](OC(C)OC)(OC(C)OC)OC(C)OC
InChIInChI=1S/C12H28O6SSi/c1-8-12(19)20(16-9(2)13-5,17-10(3)14-6)18-11(4)15-7/h9-12,19H,8H2,1-7H3
InChIKeyFWJLDIUDQMLMGL-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.20
Rot. Bonds11

About 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol

1-[tris(1-methoxyethoxy)silyl]propane-1-thiol (PubChem CID 19836222) has the molecular formula C12H28O6SSi and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol.

Molecular Properties

Compound Name1-[tris(1-methoxyethoxy)silyl]propane-1-thiol
PubChem CID19836222
Molecular FormulaC12H28O6SSi
Molecular Weight328.50 g/mol
Exact Mass328.14
IUPAC Name1-[tris(1-methoxyethoxy)silyl]propane-1-thiol
SMILESCCC(S)[Si](OC(C)OC)(OC(C)OC)OC(C)OC
InChIInChI=1S/C12H28O6SSi/c1-8-12(19)20(16-9(2)13-5,17-10(3)14-6)18-11(4)15-7/h9-12,19H,8H2,1-7H3
InChIKeyFWJLDIUDQMLMGL-UHFFFAOYSA-N
XLogP2.20
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-[tris(1-methoxyethoxy)silyl]propane-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 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol?
The IUPAC name of 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol (CID 19836222) is 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol.
What is the SMILES notation for 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol?
The canonical SMILES for 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol is CCC(S)[Si](OC(C)OC)(OC(C)OC)OC(C)OC.
What is the InChIKey of 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol?
The InChIKey is FWJLDIUDQMLMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O6SSi/c1-8-12(19)20(16-9(2)13-5,17-10(3)14-6)18-11(4)15-7/h9-12,19H,8H2,1-7H3.
What are the key properties of 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol?
1-[tris(1-methoxyethoxy)silyl]propane-1-thiol has a molecular weight of 328.50 g/mol, XLogP of 2.20, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tris(1-methoxyethoxy)silyl]propane-1-thiol is sourced from PubChem (CID 19836222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).