4-[diethoxy(methoxy)silyl]butane-2-thiol

C9H22O3SSi — CID 22227180

IUPAC4-[diethoxy(methoxy)silyl]butane-2-thiol
SMILESCCO[Si](CCC(C)S)(OC)OCC
InChIInChI=1S/C9H22O3SSi/c1-5-11-14(10-4,12-6-2)8-7-9(3)13/h9,13H,5-8H2,1-4H3
InChIKeyWNJBXSGUYBRPDX-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.35
Rot. Bonds8

About 4-[diethoxy(methoxy)silyl]butane-2-thiol

4-[diethoxy(methoxy)silyl]butane-2-thiol (PubChem CID 22227180) has the molecular formula C9H22O3SSi and a molecular weight of 238.42 g/mol. Its IUPAC name is 4-[diethoxy(methoxy)silyl]butane-2-thiol.

Molecular Properties

Compound Name4-[diethoxy(methoxy)silyl]butane-2-thiol
PubChem CID22227180
Molecular FormulaC9H22O3SSi
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name4-[diethoxy(methoxy)silyl]butane-2-thiol
SMILESCCO[Si](CCC(C)S)(OC)OCC
InChIInChI=1S/C9H22O3SSi/c1-5-11-14(10-4,12-6-2)8-7-9(3)13/h9,13H,5-8H2,1-4H3
InChIKeyWNJBXSGUYBRPDX-UHFFFAOYSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[diethoxy(methoxy)silyl]butane-2-thiol with MolForge

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

Launch Full Analysis

Related Compounds

5-triethoxysilylpentane-2-thiol
CID 19834372
1-sulfanyl-3-trimethoxysilylpropan-1-ol
CID 139948392
4-tridodecoxysilylbutane-2-thiol
CID 22227191
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231
2-[diethoxy(methoxy)silyl]-N,N-dimethylethanamine
CID 155655045
dodecyl-diethoxy-methoxysilane
CID 141483107
butyl-diethoxy-methoxysilane;molecular hydrogen
CID 161363700
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
CID 159243688
1-(ethoxy-methoxy-propylsilyl)oxyethanamine
CID 87663977
diethoxy-methoxy-(4,4,4-triethoxybutyl)silane
CID 54545002
4-trimethoxysilylbutan-2-ol
CID 19880936
1-sulfanylsilyl-3-trimethoxysilylpropane-1-thiol
CID 123845237

Frequently Asked Questions

What is the IUPAC name of 4-[diethoxy(methoxy)silyl]butane-2-thiol?
The IUPAC name of 4-[diethoxy(methoxy)silyl]butane-2-thiol (CID 22227180) is 4-[diethoxy(methoxy)silyl]butane-2-thiol.
What is the SMILES notation for 4-[diethoxy(methoxy)silyl]butane-2-thiol?
The canonical SMILES for 4-[diethoxy(methoxy)silyl]butane-2-thiol is CCO[Si](CCC(C)S)(OC)OCC.
What is the InChIKey of 4-[diethoxy(methoxy)silyl]butane-2-thiol?
The InChIKey is WNJBXSGUYBRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi/c1-5-11-14(10-4,12-6-2)8-7-9(3)13/h9,13H,5-8H2,1-4H3.
What are the key properties of 4-[diethoxy(methoxy)silyl]butane-2-thiol?
4-[diethoxy(methoxy)silyl]butane-2-thiol has a molecular weight of 238.42 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[diethoxy(methoxy)silyl]butane-2-thiol is sourced from PubChem (CID 22227180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).