trimethyl(1-phenylsulfanylpropyl)silane

C12H20SSi — CID 12572040

IUPACtrimethyl(1-phenylsulfanylpropyl)silane
SMILESCCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C12H20SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3
InChIKeyJINUTVNBBZGJBY-UHFFFAOYSA-N
MW224.45 g/mol
LogP4.43
Rot. Bonds4

About trimethyl(1-phenylsulfanylpropyl)silane

trimethyl(1-phenylsulfanylpropyl)silane (PubChem CID 12572040) has the molecular formula C12H20SSi and a molecular weight of 224.45 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanylpropyl)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanylpropyl)silane
PubChem CID12572040
Molecular FormulaC12H20SSi
Molecular Weight224.45 g/mol
Exact Mass224.11
IUPAC Nametrimethyl(1-phenylsulfanylpropyl)silane
SMILESCCC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C12H20SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3
InChIKeyJINUTVNBBZGJBY-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.45
LogP ≤ 54.43
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(1-phenylsulfanylpropyl)silane?
The IUPAC name of trimethyl(1-phenylsulfanylpropyl)silane (CID 12572040) is trimethyl(1-phenylsulfanylpropyl)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanylpropyl)silane?
The canonical SMILES for trimethyl(1-phenylsulfanylpropyl)silane is CCC(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl(1-phenylsulfanylpropyl)silane?
The InChIKey is JINUTVNBBZGJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h6-10,12H,5H2,1-4H3.
What are the key properties of trimethyl(1-phenylsulfanylpropyl)silane?
trimethyl(1-phenylsulfanylpropyl)silane has a molecular weight of 224.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanylpropyl)silane is sourced from PubChem (CID 12572040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).