diethoxy-methyl-thianthren-2-ylsilane

C17H20O2S2Si — CID 123874684

IUPACdiethoxy-methyl-thianthren-2-ylsilane
SMILESCCO[Si](C)(OCC)c1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C17H20O2S2Si/c1-4-18-22(3,19-5-2)13-10-11-16-17(12-13)21-15-9-7-6-8-14(15)20-16/h6-12H,4-5H2,1-3H3
InChIKeyCESGZDKFXDULRC-UHFFFAOYSA-N
MW348.57 g/mol
LogP4.65
Rot. Bonds5

About diethoxy-methyl-thianthren-2-ylsilane

diethoxy-methyl-thianthren-2-ylsilane (PubChem CID 123874684) has the molecular formula C17H20O2S2Si and a molecular weight of 348.57 g/mol. Its IUPAC name is diethoxy-methyl-thianthren-2-ylsilane.

Molecular Properties

Compound Namediethoxy-methyl-thianthren-2-ylsilane
PubChem CID123874684
Molecular FormulaC17H20O2S2Si
Molecular Weight348.57 g/mol
Exact Mass348.07
IUPAC Namediethoxy-methyl-thianthren-2-ylsilane
SMILESCCO[Si](C)(OCC)c1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C17H20O2S2Si/c1-4-18-22(3,19-5-2)13-10-11-16-17(12-13)21-15-9-7-6-8-14(15)20-16/h6-12H,4-5H2,1-3H3
InChIKeyCESGZDKFXDULRC-UHFFFAOYSA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 diethoxy-methyl-thianthren-2-ylsilane?
The IUPAC name of diethoxy-methyl-thianthren-2-ylsilane (CID 123874684) is diethoxy-methyl-thianthren-2-ylsilane.
What is the SMILES notation for diethoxy-methyl-thianthren-2-ylsilane?
The canonical SMILES for diethoxy-methyl-thianthren-2-ylsilane is CCO[Si](C)(OCC)c1ccc2c(c1)Sc1ccccc1S2.
What is the InChIKey of diethoxy-methyl-thianthren-2-ylsilane?
The InChIKey is CESGZDKFXDULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2Si/c1-4-18-22(3,19-5-2)13-10-11-16-17(12-13)21-15-9-7-6-8-14(15)20-16/h6-12H,4-5H2,1-3H3.
What are the key properties of diethoxy-methyl-thianthren-2-ylsilane?
diethoxy-methyl-thianthren-2-ylsilane has a molecular weight of 348.57 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-methyl-thianthren-2-ylsilane is sourced from PubChem (CID 123874684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).