3-trimethoxysilylpropane-1-thiol

C6H16O3SSi — CID 20473

IUPAC3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](CCCS)(OC)OC
InChIInChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
InChIKeyUUEWCQRISZBELL-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.18
Rot. Bonds6

About 3-trimethoxysilylpropane-1-thiol

3-trimethoxysilylpropane-1-thiol (PubChem CID 20473) has the molecular formula C6H16O3SSi and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-trimethoxysilylpropane-1-thiol.

Molecular Properties

Compound Name3-trimethoxysilylpropane-1-thiol
PubChem CID20473
Molecular FormulaC6H16O3SSi
Molecular Weight196.34 g/mol
Exact Mass196.06
IUPAC Name3-trimethoxysilylpropane-1-thiol
SMILESCO[Si](CCCS)(OC)OC
InChIInChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3
InChIKeyUUEWCQRISZBELL-UHFFFAOYSA-N
XLogP1.18
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.18
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'}

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Related Compounds

1-Propanethiol, 3-(triethoxysilyl)-
CID 84658
3-(Dimethoxymethylsilyl)propanethiol
CID 2759524
Ethanethiol, 2-(trimethoxysilyl)-
CID 82039
2-(Triethoxysilyl)ethanethiol
CID 87521
1-Propanethiol, 3-(methoxydimethylsilyl)-
CID 84673
2,2-Dimethoxy-1-thia-2-silacyclopentane
CID 20111954
1-Propanethiol, 3,3'-(1,1,3,3-tetramethoxy-1,3-disiloxanediyl)bis-
CID 53424825
Trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol
CID 23020646
Trimethoxy[3-(methylsulfanyl)propyl]silane
CID 13307608
3-Mercaptopropylethoxysilane
CID 18432051
3-Mercaptopropylmethyldiethoxysilane
CID 18542002
1-Trimethoxysilylpropane-1-thiol
CID 21862945

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropane-1-thiol?
The IUPAC name of 3-trimethoxysilylpropane-1-thiol (CID 20473) is 3-trimethoxysilylpropane-1-thiol.
What is the SMILES notation for 3-trimethoxysilylpropane-1-thiol?
The canonical SMILES for 3-trimethoxysilylpropane-1-thiol is CO[Si](CCCS)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropane-1-thiol?
The InChIKey is UUEWCQRISZBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O3SSi/c1-7-11(8-2,9-3)6-4-5-10/h10H,4-6H2,1-3H3.
What are the key properties of 3-trimethoxysilylpropane-1-thiol?
3-trimethoxysilylpropane-1-thiol has a molecular weight of 196.34 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropane-1-thiol is sourced from PubChem (CID 20473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).