1-[dimethoxy(methyl)silyl]propane-1-thiol

C6H16O2SSi — CID 21264804

IUPAC1-[dimethoxy(methyl)silyl]propane-1-thiol
SMILESCCC(S)[Si](C)(OC)OC
InChIInChI=1S/C6H16O2SSi/c1-5-6(9)10(4,7-2)8-3/h6,9H,5H2,1-4H3
InChIKeyBAACRKZNNZZIFO-UHFFFAOYSA-N
MW180.34 g/mol
LogP1.60
Rot. Bonds4

About 1-[dimethoxy(methyl)silyl]propane-1-thiol

1-[dimethoxy(methyl)silyl]propane-1-thiol (PubChem CID 21264804) has the molecular formula C6H16O2SSi and a molecular weight of 180.34 g/mol. Its IUPAC name is 1-[dimethoxy(methyl)silyl]propane-1-thiol.

Molecular Properties

Compound Name1-[dimethoxy(methyl)silyl]propane-1-thiol
PubChem CID21264804
Molecular FormulaC6H16O2SSi
Molecular Weight180.34 g/mol
Exact Mass180.06
IUPAC Name1-[dimethoxy(methyl)silyl]propane-1-thiol
SMILESCCC(S)[Si](C)(OC)OC
InChIInChI=1S/C6H16O2SSi/c1-5-6(9)10(4,7-2)8-3/h6,9H,5H2,1-4H3
InChIKeyBAACRKZNNZZIFO-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 51.60
H-Bond Donors ≤ 51
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

1-Propanethiol, 3-(triethoxysilyl)-
CID 84658
(3-Mercaptopropyl)trimethoxysilane
CID 20473
3-(Dimethoxymethylsilyl)propanethiol
CID 2759524
Ethanethiol, 2-(trimethoxysilyl)-
CID 82039
1-Propanethiol, 3-(methoxydimethylsilyl)-
CID 84673
3,3-Dimethoxy-8,8,9,9-tetramethyl-2-oxa-7-thia-3,8-disiladecane
CID 89888895
Trimethoxy(methyl)silane;3-trimethoxysilylpropane-1-thiol
CID 23020646
3-(1,1,1,3,5,5,5-Heptamethyltrisiloxan-3-yl)propane-1-thiol
CID 14323638
3-Mercaptopropylmethyldiethoxysilane
CID 18542002
1-Trimethoxysilylpropane-1-thiol
CID 21862945
Thiopropyltriethoxysilane
CID 21863098
Mercaptopropylmethoxysilane
CID 21940812

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(methyl)silyl]propane-1-thiol?
The IUPAC name of 1-[dimethoxy(methyl)silyl]propane-1-thiol (CID 21264804) is 1-[dimethoxy(methyl)silyl]propane-1-thiol.
What is the SMILES notation for 1-[dimethoxy(methyl)silyl]propane-1-thiol?
The canonical SMILES for 1-[dimethoxy(methyl)silyl]propane-1-thiol is CCC(S)[Si](C)(OC)OC.
What is the InChIKey of 1-[dimethoxy(methyl)silyl]propane-1-thiol?
The InChIKey is BAACRKZNNZZIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O2SSi/c1-5-6(9)10(4,7-2)8-3/h6,9H,5H2,1-4H3.
What are the key properties of 1-[dimethoxy(methyl)silyl]propane-1-thiol?
1-[dimethoxy(methyl)silyl]propane-1-thiol has a molecular weight of 180.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(methyl)silyl]propane-1-thiol is sourced from PubChem (CID 21264804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).