trimethyl(1-phenylsulfanylprop-2-enyl)silane

C12H18SSi — CID 12677743

IUPACtrimethyl(1-phenylsulfanylprop-2-enyl)silane
SMILESC=CC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C12H18SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h5-10,12H,1H2,2-4H3
InChIKeyBZRRHRITBJXBPW-UHFFFAOYSA-N
MW222.43 g/mol
LogP4.21
Rot. Bonds4

About trimethyl(1-phenylsulfanylprop-2-enyl)silane

trimethyl(1-phenylsulfanylprop-2-enyl)silane (PubChem CID 12677743) has the molecular formula C12H18SSi and a molecular weight of 222.43 g/mol. Its IUPAC name is trimethyl(1-phenylsulfanylprop-2-enyl)silane.

Molecular Properties

Compound Nametrimethyl(1-phenylsulfanylprop-2-enyl)silane
PubChem CID12677743
Molecular FormulaC12H18SSi
Molecular Weight222.43 g/mol
Exact Mass222.09
IUPAC Nametrimethyl(1-phenylsulfanylprop-2-enyl)silane
SMILESC=CC(Sc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C12H18SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h5-10,12H,1H2,2-4H3
InChIKeyBZRRHRITBJXBPW-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.43
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phenylsulfanylprop-2-enyl)silane?
The IUPAC name of trimethyl(1-phenylsulfanylprop-2-enyl)silane (CID 12677743) is trimethyl(1-phenylsulfanylprop-2-enyl)silane.
What is the SMILES notation for trimethyl(1-phenylsulfanylprop-2-enyl)silane?
The canonical SMILES for trimethyl(1-phenylsulfanylprop-2-enyl)silane is C=CC(Sc1ccccc1)[Si](C)(C)C.
What is the InChIKey of trimethyl(1-phenylsulfanylprop-2-enyl)silane?
The InChIKey is BZRRHRITBJXBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18SSi/c1-5-12(14(2,3)4)13-11-9-7-6-8-10-11/h5-10,12H,1H2,2-4H3.
What are the key properties of trimethyl(1-phenylsulfanylprop-2-enyl)silane?
trimethyl(1-phenylsulfanylprop-2-enyl)silane has a molecular weight of 222.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phenylsulfanylprop-2-enyl)silane is sourced from PubChem (CID 12677743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).