triethyl-(5-methylsulfanyl-2-pyridinyl)silane

C12H21NSSi — CID 102468254

IUPACtriethyl-(5-methylsulfanyl-2-pyridinyl)silane
SMILESCC[Si](CC)(CC)c1ccc(SC)cn1
InChIInChI=1S/C12H21NSSi/c1-5-15(6-2,7-3)12-9-8-11(14-4)10-13-12/h8-10H,5-7H2,1-4H3
InChIKeyUPEJHFKMOKJWOZ-UHFFFAOYSA-N
MW239.46 g/mol
LogP3.52
Rot. Bonds5

About triethyl-(5-methylsulfanyl-2-pyridinyl)silane

triethyl-(5-methylsulfanyl-2-pyridinyl)silane (PubChem CID 102468254) has the molecular formula C12H21NSSi and a molecular weight of 239.46 g/mol. Its IUPAC name is triethyl-(5-methylsulfanyl-2-pyridinyl)silane.

Molecular Properties

Compound Nametriethyl-(5-methylsulfanyl-2-pyridinyl)silane
PubChem CID102468254
Molecular FormulaC12H21NSSi
Molecular Weight239.46 g/mol
Exact Mass239.12
IUPAC Nametriethyl-(5-methylsulfanyl-2-pyridinyl)silane
SMILESCC[Si](CC)(CC)c1ccc(SC)cn1
InChIInChI=1S/C12H21NSSi/c1-5-15(6-2,7-3)12-9-8-11(14-4)10-13-12/h8-10H,5-7H2,1-4H3
InChIKeyUPEJHFKMOKJWOZ-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.46
LogP ≤ 53.52
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 triethyl-(5-methylsulfanyl-2-pyridinyl)silane?
The IUPAC name of triethyl-(5-methylsulfanyl-2-pyridinyl)silane (CID 102468254) is triethyl-(5-methylsulfanyl-2-pyridinyl)silane.
What is the SMILES notation for triethyl-(5-methylsulfanyl-2-pyridinyl)silane?
The canonical SMILES for triethyl-(5-methylsulfanyl-2-pyridinyl)silane is CC[Si](CC)(CC)c1ccc(SC)cn1.
What is the InChIKey of triethyl-(5-methylsulfanyl-2-pyridinyl)silane?
The InChIKey is UPEJHFKMOKJWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NSSi/c1-5-15(6-2,7-3)12-9-8-11(14-4)10-13-12/h8-10H,5-7H2,1-4H3.
What are the key properties of triethyl-(5-methylsulfanyl-2-pyridinyl)silane?
triethyl-(5-methylsulfanyl-2-pyridinyl)silane has a molecular weight of 239.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(5-methylsulfanyl-2-pyridinyl)silane is sourced from PubChem (CID 102468254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).