trimethyl-(3-methyl-1-benzothiophen-2-yl)silane

C12H16SSi — CID 14343463

IUPACtrimethyl-(3-methyl-1-benzothiophen-2-yl)silane
SMILESCc1c([Si](C)(C)C)sc2ccccc12
InChIInChI=1S/C12H16SSi/c1-9-10-7-5-6-8-11(10)13-12(9)14(2,3)4/h5-8H,1-4H3
InChIKeyWCOKUJBSJVTSAK-UHFFFAOYSA-N
MW220.41 g/mol
LogP3.75
Rot. Bonds1

About trimethyl-(3-methyl-1-benzothiophen-2-yl)silane

trimethyl-(3-methyl-1-benzothiophen-2-yl)silane (PubChem CID 14343463) has the molecular formula C12H16SSi and a molecular weight of 220.41 g/mol. Its IUPAC name is trimethyl-(3-methyl-1-benzothiophen-2-yl)silane.

Molecular Properties

Compound Nametrimethyl-(3-methyl-1-benzothiophen-2-yl)silane
PubChem CID14343463
Molecular FormulaC12H16SSi
Molecular Weight220.41 g/mol
Exact Mass220.07
IUPAC Nametrimethyl-(3-methyl-1-benzothiophen-2-yl)silane
SMILESCc1c([Si](C)(C)C)sc2ccccc12
InChIInChI=1S/C12H16SSi/c1-9-10-7-5-6-8-11(10)13-12(9)14(2,3)4/h5-8H,1-4H3
InChIKeyWCOKUJBSJVTSAK-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-(3-methyl-1-benzothiophen-2-yl)silane?
The IUPAC name of trimethyl-(3-methyl-1-benzothiophen-2-yl)silane (CID 14343463) is trimethyl-(3-methyl-1-benzothiophen-2-yl)silane.
What is the SMILES notation for trimethyl-(3-methyl-1-benzothiophen-2-yl)silane?
The canonical SMILES for trimethyl-(3-methyl-1-benzothiophen-2-yl)silane is Cc1c([Si](C)(C)C)sc2ccccc12.
What is the InChIKey of trimethyl-(3-methyl-1-benzothiophen-2-yl)silane?
The InChIKey is WCOKUJBSJVTSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16SSi/c1-9-10-7-5-6-8-11(10)13-12(9)14(2,3)4/h5-8H,1-4H3.
What are the key properties of trimethyl-(3-methyl-1-benzothiophen-2-yl)silane?
trimethyl-(3-methyl-1-benzothiophen-2-yl)silane has a molecular weight of 220.41 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(3-methyl-1-benzothiophen-2-yl)silane is sourced from PubChem (CID 14343463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).