1-triethoxysilylpropane-1,3-dithiol

C9H22O3S2Si — CID 22227190

IUPAC1-triethoxysilylpropane-1,3-dithiol
SMILESCCO[Si](OCC)(OCC)C(S)CCS
InChIInChI=1S/C9H22O3S2Si/c1-4-10-15(11-5-2,12-6-3)9(14)7-8-13/h9,13-14H,4-8H2,1-3H3
InChIKeyZMVDPVCHTCPVLL-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.19
Rot. Bonds9

About 1-triethoxysilylpropane-1,3-dithiol

1-triethoxysilylpropane-1,3-dithiol (PubChem CID 22227190) has the molecular formula C9H22O3S2Si and a molecular weight of 270.49 g/mol. Its IUPAC name is 1-triethoxysilylpropane-1,3-dithiol.

Molecular Properties

Compound Name1-triethoxysilylpropane-1,3-dithiol
PubChem CID22227190
Molecular FormulaC9H22O3S2Si
Molecular Weight270.49 g/mol
Exact Mass270.08
IUPAC Name1-triethoxysilylpropane-1,3-dithiol
SMILESCCO[Si](OCC)(OCC)C(S)CCS
InChIInChI=1S/C9H22O3S2Si/c1-4-10-15(11-5-2,12-6-3)9(14)7-8-13/h9,13-14H,4-8H2,1-3H3
InChIKeyZMVDPVCHTCPVLL-UHFFFAOYSA-N
XLogP2.19
TPSA27.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
2-(Triethoxysilyl)ethanethiol
CID 87521
2-[(Tert-butyldimethylsilyl)oxy]ethane-1-thiol
CID 15401058
1-Propanethiol, 3,3'-(1,1,3,3-tetramethoxy-1,3-disiloxanediyl)bis-
CID 53424825
Ethanethiol, 2-[(triethylsilyl)oxy]-
CID 11790050
3-Mercaptopropylethoxysilane
CID 18432051
3-Mercaptopropylmethyldiethoxysilane
CID 18542002
1-Trimethoxysilylpropane-1-thiol
CID 21862945
Thiopropyltriethoxysilane
CID 21863098
beta-Mercaptopropyltriethoxysilane
CID 22726056
Bis[3-(ethoxy-silyl) propyl]disulfide
CID 57219165

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylpropane-1,3-dithiol?
The IUPAC name of 1-triethoxysilylpropane-1,3-dithiol (CID 22227190) is 1-triethoxysilylpropane-1,3-dithiol.
What is the SMILES notation for 1-triethoxysilylpropane-1,3-dithiol?
The canonical SMILES for 1-triethoxysilylpropane-1,3-dithiol is CCO[Si](OCC)(OCC)C(S)CCS.
What is the InChIKey of 1-triethoxysilylpropane-1,3-dithiol?
The InChIKey is ZMVDPVCHTCPVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3S2Si/c1-4-10-15(11-5-2,12-6-3)9(14)7-8-13/h9,13-14H,4-8H2,1-3H3.
What are the key properties of 1-triethoxysilylpropane-1,3-dithiol?
1-triethoxysilylpropane-1,3-dithiol has a molecular weight of 270.49 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylpropane-1,3-dithiol is sourced from PubChem (CID 22227190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).