4-trimethylsilylthiophene-2-carbonitrile

C8H11NSSi — CID 18510985

IUPAC4-trimethylsilylthiophene-2-carbonitrile
SMILESC[Si](C)(C)c1csc(C#N)c1
InChIInChI=1S/C8H11NSSi/c1-11(2,3)8-4-7(5-9)10-6-8/h4,6H,1-3H3
InChIKeySXKDSJLRBISRQB-UHFFFAOYSA-N
MW181.34 g/mol
LogP2.16
Rot. Bonds1

About 4-trimethylsilylthiophene-2-carbonitrile

4-trimethylsilylthiophene-2-carbonitrile (PubChem CID 18510985) has the molecular formula C8H11NSSi and a molecular weight of 181.34 g/mol. Its IUPAC name is 4-trimethylsilylthiophene-2-carbonitrile.

Molecular Properties

Compound Name4-trimethylsilylthiophene-2-carbonitrile
PubChem CID18510985
Molecular FormulaC8H11NSSi
Molecular Weight181.34 g/mol
Exact Mass181.04
IUPAC Name4-trimethylsilylthiophene-2-carbonitrile
SMILESC[Si](C)(C)c1csc(C#N)c1
InChIInChI=1S/C8H11NSSi/c1-11(2,3)8-4-7(5-9)10-6-8/h4,6H,1-3H3
InChIKeySXKDSJLRBISRQB-UHFFFAOYSA-N
XLogP2.16
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-trimethylsilylthiophene-2-carbonitrile?
The IUPAC name of 4-trimethylsilylthiophene-2-carbonitrile (CID 18510985) is 4-trimethylsilylthiophene-2-carbonitrile.
What is the SMILES notation for 4-trimethylsilylthiophene-2-carbonitrile?
The canonical SMILES for 4-trimethylsilylthiophene-2-carbonitrile is C[Si](C)(C)c1csc(C#N)c1.
What is the InChIKey of 4-trimethylsilylthiophene-2-carbonitrile?
The InChIKey is SXKDSJLRBISRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NSSi/c1-11(2,3)8-4-7(5-9)10-6-8/h4,6H,1-3H3.
What are the key properties of 4-trimethylsilylthiophene-2-carbonitrile?
4-trimethylsilylthiophene-2-carbonitrile has a molecular weight of 181.34 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylthiophene-2-carbonitrile is sourced from PubChem (CID 18510985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).