triethoxy(thianthren-2-yl)silane

C18H22O3S2Si — CID 71116676

IUPACtriethoxy(thianthren-2-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C18H22O3S2Si/c1-4-19-24(20-5-2,21-6-3)14-11-12-17-18(13-14)23-16-10-8-7-9-15(16)22-17/h7-13H,4-6H2,1-3H3
InChIKeyUPBDYBOXWSXLCX-UHFFFAOYSA-N
MW378.59 g/mol
LogP4.56
Rot. Bonds7

About triethoxy(thianthren-2-yl)silane

triethoxy(thianthren-2-yl)silane (PubChem CID 71116676) has the molecular formula C18H22O3S2Si and a molecular weight of 378.59 g/mol. Its IUPAC name is triethoxy(thianthren-2-yl)silane.

Molecular Properties

Compound Nametriethoxy(thianthren-2-yl)silane
PubChem CID71116676
Molecular FormulaC18H22O3S2Si
Molecular Weight378.59 g/mol
Exact Mass378.08
IUPAC Nametriethoxy(thianthren-2-yl)silane
SMILESCCO[Si](OCC)(OCC)c1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C18H22O3S2Si/c1-4-19-24(20-5-2,21-6-3)14-11-12-17-18(13-14)23-16-10-8-7-9-15(16)22-17/h7-13H,4-6H2,1-3H3
InChIKeyUPBDYBOXWSXLCX-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.59
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethoxy(thianthren-2-yl)silane?
The IUPAC name of triethoxy(thianthren-2-yl)silane (CID 71116676) is triethoxy(thianthren-2-yl)silane.
What is the SMILES notation for triethoxy(thianthren-2-yl)silane?
The canonical SMILES for triethoxy(thianthren-2-yl)silane is CCO[Si](OCC)(OCC)c1ccc2c(c1)Sc1ccccc1S2.
What is the InChIKey of triethoxy(thianthren-2-yl)silane?
The InChIKey is UPBDYBOXWSXLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3S2Si/c1-4-19-24(20-5-2,21-6-3)14-11-12-17-18(13-14)23-16-10-8-7-9-15(16)22-17/h7-13H,4-6H2,1-3H3.
What are the key properties of triethoxy(thianthren-2-yl)silane?
triethoxy(thianthren-2-yl)silane has a molecular weight of 378.59 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy(thianthren-2-yl)silane is sourced from PubChem (CID 71116676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).