(2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane

C13H18SSi — CID 168837360

IUPAC(2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane
SMILESCc1sc2ccc([Si](C)(C)C)cc2c1C
InChIInChI=1S/C13H18SSi/c1-9-10(2)14-13-7-6-11(8-12(9)13)15(3,4)5/h6-8H,1-5H3
InChIKeyXSEMGOBFGBVKCJ-UHFFFAOYSA-N
MW234.44 g/mol
LogP4.06
Rot. Bonds1

About (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane

(2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane (PubChem CID 168837360) has the molecular formula C13H18SSi and a molecular weight of 234.44 g/mol. Its IUPAC name is (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane.

Molecular Properties

Compound Name(2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane
PubChem CID168837360
Molecular FormulaC13H18SSi
Molecular Weight234.44 g/mol
Exact Mass234.09
IUPAC Name(2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane
SMILESCc1sc2ccc([Si](C)(C)C)cc2c1C
InChIInChI=1S/C13H18SSi/c1-9-10(2)14-13-7-6-11(8-12(9)13)15(3,4)5/h6-8H,1-5H3
InChIKeyXSEMGOBFGBVKCJ-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 54.06
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 (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane?
The IUPAC name of (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane (CID 168837360) is (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane.
What is the SMILES notation for (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane?
The canonical SMILES for (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane is Cc1sc2ccc([Si](C)(C)C)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane?
The InChIKey is XSEMGOBFGBVKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18SSi/c1-9-10(2)14-13-7-6-11(8-12(9)13)15(3,4)5/h6-8H,1-5H3.
What are the key properties of (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane?
(2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane has a molecular weight of 234.44 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1-benzothiophen-5-yl)-trimethylsilane is sourced from PubChem (CID 168837360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).