2-(dipropoxymethoxysilyl)ethanethiol

C9H22O3SSi — CID 123916528

IUPAC2-(dipropoxymethoxysilyl)ethanethiol
SMILESCCCOC(OCCC)O[SiH2]CCS
InChIInChI=1S/C9H22O3SSi/c1-3-5-10-9(11-6-4-2)12-14-8-7-13/h9,13H,3-8,14H2,1-2H3
InChIKeyXPULFFUSXKLZJZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP1.57
Rot. Bonds10

About 2-(dipropoxymethoxysilyl)ethanethiol

2-(dipropoxymethoxysilyl)ethanethiol (PubChem CID 123916528) has the molecular formula C9H22O3SSi and a molecular weight of 238.42 g/mol. Its IUPAC name is 2-(dipropoxymethoxysilyl)ethanethiol.

Molecular Properties

Compound Name2-(dipropoxymethoxysilyl)ethanethiol
PubChem CID123916528
Molecular FormulaC9H22O3SSi
Molecular Weight238.42 g/mol
Exact Mass238.11
IUPAC Name2-(dipropoxymethoxysilyl)ethanethiol
SMILESCCCOC(OCCC)O[SiH2]CCS
InChIInChI=1S/C9H22O3SSi/c1-3-5-10-9(11-6-4-2)12-14-8-7-13/h9,13H,3-8,14H2,1-2H3
InChIKeyXPULFFUSXKLZJZ-UHFFFAOYSA-N
XLogP1.57
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-hydroxyethoxy(propylsilyloxy)methoxy]ethanol
CID 173145253
dibutoxymethoxy(propyl)silane
CID 154155162
dipropoxymethoxy(ethoxy)silane
CID 123715676
2-(diethoxymethoxysilyl)ethanamine
CID 123825582
2-[2-hydroxyethoxy-[3-(methylamino)propylsilyloxy]methoxy]ethanol
CID 123986589
butyl(1,2-dipropoxyethoxy)silane
CID 123351057
3-(1,3-diethoxypropoxysilyl)propane-1-thiol
CID 175446121
dipropoxymethyl-[3-(dipropoxymethylsilyl)propyl]silane
CID 123262117
chloromethyl(diethoxymethoxy)silane
CID 172996461
(2R,3R)-2,3-dipropoxybutane
CID 118445331
1-propoxypropane-1-thiol
CID 57215222
1-methoxy-1-propoxypropane
CID 19963975

Frequently Asked Questions

What is the IUPAC name of 2-(dipropoxymethoxysilyl)ethanethiol?
The IUPAC name of 2-(dipropoxymethoxysilyl)ethanethiol (CID 123916528) is 2-(dipropoxymethoxysilyl)ethanethiol.
What is the SMILES notation for 2-(dipropoxymethoxysilyl)ethanethiol?
The canonical SMILES for 2-(dipropoxymethoxysilyl)ethanethiol is CCCOC(OCCC)O[SiH2]CCS.
What is the InChIKey of 2-(dipropoxymethoxysilyl)ethanethiol?
The InChIKey is XPULFFUSXKLZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3SSi/c1-3-5-10-9(11-6-4-2)12-14-8-7-13/h9,13H,3-8,14H2,1-2H3.
What are the key properties of 2-(dipropoxymethoxysilyl)ethanethiol?
2-(dipropoxymethoxysilyl)ethanethiol has a molecular weight of 238.42 g/mol, XLogP of 1.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropoxymethoxysilyl)ethanethiol is sourced from PubChem (CID 123916528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).