tetrakis(phenylsulfanylmethyl)silane

C28H28S4Si — CID 4525055

IUPACtetrakis(phenylsulfanylmethyl)silane
SMILESc1ccc(SC[Si](CSc2ccccc2)(CSc2ccccc2)CSc2ccccc2)cc1
InChIInChI=1S/C28H28S4Si/c1-5-13-25(14-6-1)29-21-33(22-30-26-15-7-2-8-16-26,23-31-27-17-9-3-10-18-27)24-32-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyIQCINMZCRDTEMA-UHFFFAOYSA-N
MW520.89 g/mol
LogP8.76
Rot. Bonds12

About tetrakis(phenylsulfanylmethyl)silane

tetrakis(phenylsulfanylmethyl)silane (PubChem CID 4525055) has the molecular formula C28H28S4Si and a molecular weight of 520.89 g/mol. Its IUPAC name is tetrakis(phenylsulfanylmethyl)silane.

Molecular Properties

Compound Nametetrakis(phenylsulfanylmethyl)silane
PubChem CID4525055
Molecular FormulaC28H28S4Si
Molecular Weight520.89 g/mol
Exact Mass520.08
IUPAC Nametetrakis(phenylsulfanylmethyl)silane
SMILESc1ccc(SC[Si](CSc2ccccc2)(CSc2ccccc2)CSc2ccccc2)cc1
InChIInChI=1S/C28H28S4Si/c1-5-13-25(14-6-1)29-21-33(22-30-26-15-7-2-8-16-26,23-31-27-17-9-3-10-18-27)24-32-28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyIQCINMZCRDTEMA-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.89
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tetrakis(phenylsulfanylmethyl)silane?
The IUPAC name of tetrakis(phenylsulfanylmethyl)silane (CID 4525055) is tetrakis(phenylsulfanylmethyl)silane.
What is the SMILES notation for tetrakis(phenylsulfanylmethyl)silane?
The canonical SMILES for tetrakis(phenylsulfanylmethyl)silane is c1ccc(SC[Si](CSc2ccccc2)(CSc2ccccc2)CSc2ccccc2)cc1.
What is the InChIKey of tetrakis(phenylsulfanylmethyl)silane?
The InChIKey is IQCINMZCRDTEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28S4Si/c1-5-13-25(14-6-1)29-21-33(22-30-26-15-7-2-8-16-26,23-31-27-17-9-3-10-18-27)24-32-28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of tetrakis(phenylsulfanylmethyl)silane?
tetrakis(phenylsulfanylmethyl)silane has a molecular weight of 520.89 g/mol, XLogP of 8.76, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(phenylsulfanylmethyl)silane is sourced from PubChem (CID 4525055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).