bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane

C29H33PSSi2 — CID 86089222

IUPACbis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane
SMILESC[Si](C)(c1ccccc1)C([Si](C)(C)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33PSSi2/c1-32(2,27-21-13-7-14-22-27)29(33(3,4)28-23-15-8-16-24-28)30(31,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29H,1-4H3
InChIKeyRMXHRBYAHCHNME-UHFFFAOYSA-N
MW500.80 g/mol
LogP5.80
Rot. Bonds7

About bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane

bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane (PubChem CID 86089222) has the molecular formula C29H33PSSi2 and a molecular weight of 500.80 g/mol. Its IUPAC name is bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane
PubChem CID86089222
Molecular FormulaC29H33PSSi2
Molecular Weight500.80 g/mol
Exact Mass500.16
IUPAC Namebis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane
SMILESC[Si](C)(c1ccccc1)C([Si](C)(C)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H33PSSi2/c1-32(2,27-21-13-7-14-22-27)29(33(3,4)28-23-15-8-16-24-28)30(31,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29H,1-4H3
InChIKeyRMXHRBYAHCHNME-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.80
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane (CID 86089222) is bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane is C[Si](C)(c1ccccc1)C([Si](C)(C)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane?
The InChIKey is RMXHRBYAHCHNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33PSSi2/c1-32(2,27-21-13-7-14-22-27)29(33(3,4)28-23-15-8-16-24-28)30(31,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29H,1-4H3.
What are the key properties of bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane?
bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane has a molecular weight of 500.80 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[dimethyl(phenyl)silyl]methyl-diphenyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 86089222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).