trimethoxy(thianthren-2-yl)silane

C15H16O3S2Si — CID 71116697

IUPACtrimethoxy(thianthren-2-yl)silane
SMILESCO[Si](OC)(OC)c1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C15H16O3S2Si/c1-16-21(17-2,18-3)11-8-9-14-15(10-11)20-13-7-5-4-6-12(13)19-14/h4-10H,1-3H3
InChIKeyWWMMKAZJIJZTKM-UHFFFAOYSA-N
MW336.51 g/mol
LogP3.39
Rot. Bonds4

About trimethoxy(thianthren-2-yl)silane

trimethoxy(thianthren-2-yl)silane (PubChem CID 71116697) has the molecular formula C15H16O3S2Si and a molecular weight of 336.51 g/mol. Its IUPAC name is trimethoxy(thianthren-2-yl)silane.

Molecular Properties

Compound Nametrimethoxy(thianthren-2-yl)silane
PubChem CID71116697
Molecular FormulaC15H16O3S2Si
Molecular Weight336.51 g/mol
Exact Mass336.03
IUPAC Nametrimethoxy(thianthren-2-yl)silane
SMILESCO[Si](OC)(OC)c1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C15H16O3S2Si/c1-16-21(17-2,18-3)11-8-9-14-15(10-11)20-13-7-5-4-6-12(13)19-14/h4-10H,1-3H3
InChIKeyWWMMKAZJIJZTKM-UHFFFAOYSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 53.39
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 trimethoxy(thianthren-2-yl)silane?
The IUPAC name of trimethoxy(thianthren-2-yl)silane (CID 71116697) is trimethoxy(thianthren-2-yl)silane.
What is the SMILES notation for trimethoxy(thianthren-2-yl)silane?
The canonical SMILES for trimethoxy(thianthren-2-yl)silane is CO[Si](OC)(OC)c1ccc2c(c1)Sc1ccccc1S2.
What is the InChIKey of trimethoxy(thianthren-2-yl)silane?
The InChIKey is WWMMKAZJIJZTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S2Si/c1-16-21(17-2,18-3)11-8-9-14-15(10-11)20-13-7-5-4-6-12(13)19-14/h4-10H,1-3H3.
What are the key properties of trimethoxy(thianthren-2-yl)silane?
trimethoxy(thianthren-2-yl)silane has a molecular weight of 336.51 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(thianthren-2-yl)silane is sourced from PubChem (CID 71116697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).