methylsulfanyl(triphenyl)silane

C19H18SSi — CID 4091811

IUPACmethylsulfanyl(triphenyl)silane
SMILESCS[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18SSi/c1-20-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyHOXQDSSMHFQRFA-UHFFFAOYSA-N
MW306.51 g/mol
LogP3.02
Rot. Bonds4

About methylsulfanyl(triphenyl)silane

methylsulfanyl(triphenyl)silane (PubChem CID 4091811) has the molecular formula C19H18SSi and a molecular weight of 306.51 g/mol. Its IUPAC name is methylsulfanyl(triphenyl)silane.

Molecular Properties

Compound Namemethylsulfanyl(triphenyl)silane
PubChem CID4091811
Molecular FormulaC19H18SSi
Molecular Weight306.51 g/mol
Exact Mass306.09
IUPAC Namemethylsulfanyl(triphenyl)silane
SMILESCS[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H18SSi/c1-20-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
InChIKeyHOXQDSSMHFQRFA-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyl(triphenyl)silane?
The IUPAC name of methylsulfanyl(triphenyl)silane (CID 4091811) is methylsulfanyl(triphenyl)silane.
What is the SMILES notation for methylsulfanyl(triphenyl)silane?
The canonical SMILES for methylsulfanyl(triphenyl)silane is CS[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methylsulfanyl(triphenyl)silane?
The InChIKey is HOXQDSSMHFQRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18SSi/c1-20-21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3.
What are the key properties of methylsulfanyl(triphenyl)silane?
methylsulfanyl(triphenyl)silane has a molecular weight of 306.51 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl(triphenyl)silane is sourced from PubChem (CID 4091811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).