[4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane

C23H28S2Si2 — CID 123827111

IUPAC[4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane
SMILESC=C(Sc1cc([Si](C)(C)c2ccccc2)sc1C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H28S2Si2/c1-18-22(25-19(2)26(3,4)20-13-9-7-10-14-20)17-23(24-18)27(5,6)21-15-11-8-12-16-21/h7-17H,2H2,1,3-6H3
InChIKeyASCPBMGEYLRRGF-UHFFFAOYSA-N
MW424.78 g/mol
LogP5.64
Rot. Bonds6

About [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane

[4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane (PubChem CID 123827111) has the molecular formula C23H28S2Si2 and a molecular weight of 424.78 g/mol. Its IUPAC name is [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane
PubChem CID123827111
Molecular FormulaC23H28S2Si2
Molecular Weight424.78 g/mol
Exact Mass424.12
IUPAC Name[4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane
SMILESC=C(Sc1cc([Si](C)(C)c2ccccc2)sc1C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H28S2Si2/c1-18-22(25-19(2)26(3,4)20-13-9-7-10-14-20)17-23(24-18)27(5,6)21-15-11-8-12-16-21/h7-17H,2H2,1,3-6H3
InChIKeyASCPBMGEYLRRGF-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.78
LogP ≤ 55.64
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-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane (CID 123827111) is [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane is C=C(Sc1cc([Si](C)(C)c2ccccc2)sc1C)[Si](C)(C)c1ccccc1.
What is the InChIKey of [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane?
The InChIKey is ASCPBMGEYLRRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28S2Si2/c1-18-22(25-19(2)26(3,4)20-13-9-7-10-14-20)17-23(24-18)27(5,6)21-15-11-8-12-16-21/h7-17H,2H2,1,3-6H3.
What are the key properties of [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane?
[4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane has a molecular weight of 424.78 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[dimethyl(phenyl)silyl]ethenylsulfanyl]-5-methylthiophen-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 123827111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).