3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol

C8H20O3S2Si — CID 86093563

IUPAC3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
SMILESCO[Si](CCSCCCS)(OC)OC
InChIInChI=1S/C8H20O3S2Si/c1-9-14(10-2,11-3)8-7-13-6-4-5-12/h12H,4-8H2,1-3H3
InChIKeyHZCZGACMDLFGHA-UHFFFAOYSA-N
MW256.46 g/mol
LogP1.92
Rot. Bonds9

About 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol

3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol (PubChem CID 86093563) has the molecular formula C8H20O3S2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol.

Molecular Properties

Compound Name3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
PubChem CID86093563
Molecular FormulaC8H20O3S2Si
Molecular Weight256.46 g/mol
Exact Mass256.06
IUPAC Name3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol
SMILESCO[Si](CCSCCCS)(OC)OC
InChIInChI=1S/C8H20O3S2Si/c1-9-14(10-2,11-3)8-7-13-6-4-5-12/h12H,4-8H2,1-3H3
InChIKeyHZCZGACMDLFGHA-UHFFFAOYSA-N
XLogP1.92
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 51.92
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-trimethoxysilylethylsulfanyl)ethanethiol
CID 57057435
2-hexylsulfanylethyl(trimethoxy)silane
CID 159878767
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
silane;3-trimethoxysilylpropane-1-thiol
CID 157336747
2-(2-trimethoxysilylethylsulfanyl)ethanol
CID 71335611
methoxysilane;3-trimethoxysilylpropane-1-thiol
CID 159282463
bis(2-butylsulfanylethyl)-bis[2-(3-trimethoxysilylpropylsulfanyl)ethyl]silane
CID 159584863
2-(2-triethoxysilylethylsulfanyl)ethanethiol
CID 13068518
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
trimethoxy-[2-(2-trimethoxysilylethyldisulfanyl)ethyl]silane
CID 23263588
3-(11-bromoundecylsulfanyl)propyl-trimethoxysilane
CID 102318715
18-[diethoxy(methoxy)silyl]octadecane-1-thiol
CID 87149231

Frequently Asked Questions

What is the IUPAC name of 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol?
The IUPAC name of 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol (CID 86093563) is 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol.
What is the SMILES notation for 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol?
The canonical SMILES for 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol is CO[Si](CCSCCCS)(OC)OC.
What is the InChIKey of 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol?
The InChIKey is HZCZGACMDLFGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O3S2Si/c1-9-14(10-2,11-3)8-7-13-6-4-5-12/h12H,4-8H2,1-3H3.
What are the key properties of 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol?
3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol has a molecular weight of 256.46 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethoxysilylethylsulfanyl)propane-1-thiol is sourced from PubChem (CID 86093563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).