O-(3-triethoxysilylpropyl) carbamothioate

C10H23NO4SSi — CID 175061210

IUPACO-(3-triethoxysilylpropyl) carbamothioate
SMILESCCO[Si](CCCOC(N)=S)(OCC)OCC
InChIInChI=1S/C10H23NO4SSi/c1-4-13-17(14-5-2,15-6-3)9-7-8-12-10(11)16/h4-9H2,1-3H3,(H2,11,16)
InChIKeyOWZBFHSQISAZQX-UHFFFAOYSA-N
MW281.45 g/mol
LogP1.69
Rot. Bonds10

About O-(3-triethoxysilylpropyl) carbamothioate

O-(3-triethoxysilylpropyl) carbamothioate (PubChem CID 175061210) has the molecular formula C10H23NO4SSi and a molecular weight of 281.45 g/mol. Its IUPAC name is O-(3-triethoxysilylpropyl) carbamothioate.

Molecular Properties

Compound NameO-(3-triethoxysilylpropyl) carbamothioate
PubChem CID175061210
Molecular FormulaC10H23NO4SSi
Molecular Weight281.45 g/mol
Exact Mass281.11
IUPAC NameO-(3-triethoxysilylpropyl) carbamothioate
SMILESCCO[Si](CCCOC(N)=S)(OCC)OCC
InChIInChI=1S/C10H23NO4SSi/c1-4-13-17(14-5-2,15-6-3)9-7-8-12-10(11)16/h4-9H2,1-3H3,(H2,11,16)
InChIKeyOWZBFHSQISAZQX-UHFFFAOYSA-N
XLogP1.69
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze O-(3-triethoxysilylpropyl) carbamothioate 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 O-(3-triethoxysilylpropyl) carbamothioate?
The IUPAC name of O-(3-triethoxysilylpropyl) carbamothioate (CID 175061210) is O-(3-triethoxysilylpropyl) carbamothioate.
What is the SMILES notation for O-(3-triethoxysilylpropyl) carbamothioate?
The canonical SMILES for O-(3-triethoxysilylpropyl) carbamothioate is CCO[Si](CCCOC(N)=S)(OCC)OCC.
What is the InChIKey of O-(3-triethoxysilylpropyl) carbamothioate?
The InChIKey is OWZBFHSQISAZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO4SSi/c1-4-13-17(14-5-2,15-6-3)9-7-8-12-10(11)16/h4-9H2,1-3H3,(H2,11,16).
What are the key properties of O-(3-triethoxysilylpropyl) carbamothioate?
O-(3-triethoxysilylpropyl) carbamothioate has a molecular weight of 281.45 g/mol, XLogP of 1.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(3-triethoxysilylpropyl) carbamothioate is sourced from PubChem (CID 175061210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).