3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol

C11H26S3Si — CID 54009518

IUPAC3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol
SMILESCC[Si](CCCS)(CCCS)CCCS
InChIInChI=1S/C11H26S3Si/c1-2-15(9-3-6-12,10-4-7-13)11-5-8-14/h12-14H,2-11H2,1H3
InChIKeyKRHOHBBJQXETRW-UHFFFAOYSA-N
MW282.62 g/mol
LogP4.41
Rot. Bonds10

About 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol

3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol (PubChem CID 54009518) has the molecular formula C11H26S3Si and a molecular weight of 282.62 g/mol. Its IUPAC name is 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol
PubChem CID54009518
Molecular FormulaC11H26S3Si
Molecular Weight282.62 g/mol
Exact Mass282.10
IUPAC Name3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol
SMILESCC[Si](CCCS)(CCCS)CCCS
InChIInChI=1S/C11H26S3Si/c1-2-15(9-3-6-12,10-4-7-13)11-5-8-14/h12-14H,2-11H2,1H3
InChIKeyKRHOHBBJQXETRW-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.62
LogP ≤ 54.41
H-Bond Donors ≤ 53
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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Related Compounds

triethyl(7-triethylsilylheptyl)silane
CID 174191086
3-trihydroxysilylpropane-1-thiol
CID 15787898
triethyl(octacosyl)silane
CID 173084780
azane;3-triethoxysilylpropane-1-thiol
CID 174882567
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
3-[ethoxy(dimethyl)silyl]propane-1-thiol;silane
CID 159201084
triethyl(8-fluorooctyl)silane
CID 141400888
3-tris(prop-1-en-2-yloxy)silylpropane-1-thiol
CID 18401981
benzene;3-triethoxysilylpropane-1-thiol
CID 157185435
4-[diethoxy(ethyl)silyl]butane-1-thiol
CID 18369741
butane-1-thiol;silane
CID 157290532

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol?
The IUPAC name of 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol (CID 54009518) is 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol.
What is the SMILES notation for 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol?
The canonical SMILES for 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol is CC[Si](CCCS)(CCCS)CCCS.
What is the InChIKey of 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol?
The InChIKey is KRHOHBBJQXETRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26S3Si/c1-2-15(9-3-6-12,10-4-7-13)11-5-8-14/h12-14H,2-11H2,1H3.
What are the key properties of 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol?
3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol has a molecular weight of 282.62 g/mol, XLogP of 4.41, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-bis(3-sulfanylpropyl)silyl]propane-1-thiol is sourced from PubChem (CID 54009518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).