trimethyl(3-phenylsulfanylpropyl)silane

C12H20SSi — CID 13223562

IUPACtrimethyl(3-phenylsulfanylpropyl)silane
SMILESC[Si](C)(C)CCCSc1ccccc1
InChIInChI=1S/C12H20SSi/c1-14(2,3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyLOBCIEZDGYXMPV-UHFFFAOYSA-N
MW224.45 g/mol
LogP4.51
Rot. Bonds5

About trimethyl(3-phenylsulfanylpropyl)silane

trimethyl(3-phenylsulfanylpropyl)silane (PubChem CID 13223562) has the molecular formula C12H20SSi and a molecular weight of 224.45 g/mol. Its IUPAC name is trimethyl(3-phenylsulfanylpropyl)silane.

Molecular Properties

Compound Nametrimethyl(3-phenylsulfanylpropyl)silane
PubChem CID13223562
Molecular FormulaC12H20SSi
Molecular Weight224.45 g/mol
Exact Mass224.11
IUPAC Nametrimethyl(3-phenylsulfanylpropyl)silane
SMILESC[Si](C)(C)CCCSc1ccccc1
InChIInChI=1S/C12H20SSi/c1-14(2,3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyLOBCIEZDGYXMPV-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.45
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl(3-phenylsulfanylpropyl)silane?
The IUPAC name of trimethyl(3-phenylsulfanylpropyl)silane (CID 13223562) is trimethyl(3-phenylsulfanylpropyl)silane.
What is the SMILES notation for trimethyl(3-phenylsulfanylpropyl)silane?
The canonical SMILES for trimethyl(3-phenylsulfanylpropyl)silane is C[Si](C)(C)CCCSc1ccccc1.
What is the InChIKey of trimethyl(3-phenylsulfanylpropyl)silane?
The InChIKey is LOBCIEZDGYXMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20SSi/c1-14(2,3)11-7-10-13-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of trimethyl(3-phenylsulfanylpropyl)silane?
trimethyl(3-phenylsulfanylpropyl)silane has a molecular weight of 224.45 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(3-phenylsulfanylpropyl)silane is sourced from PubChem (CID 13223562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).