bis(phenylsulfanyl)methyl-trimethylsilane

C16H20S2Si — CID 10968737

IUPACbis(phenylsulfanyl)methyl-trimethylsilane
SMILESC[Si](C)(C)C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H20S2Si/c1-19(2,3)16(17-14-10-6-4-7-11-14)18-15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyHPYOLIQEFJCHSW-UHFFFAOYSA-N
MW304.56 g/mol
LogP5.77
Rot. Bonds5

About bis(phenylsulfanyl)methyl-trimethylsilane

bis(phenylsulfanyl)methyl-trimethylsilane (PubChem CID 10968737) has the molecular formula C16H20S2Si and a molecular weight of 304.56 g/mol. Its IUPAC name is bis(phenylsulfanyl)methyl-trimethylsilane.

Molecular Properties

Compound Namebis(phenylsulfanyl)methyl-trimethylsilane
PubChem CID10968737
Molecular FormulaC16H20S2Si
Molecular Weight304.56 g/mol
Exact Mass304.08
IUPAC Namebis(phenylsulfanyl)methyl-trimethylsilane
SMILESC[Si](C)(C)C(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C16H20S2Si/c1-19(2,3)16(17-14-10-6-4-7-11-14)18-15-12-8-5-9-13-15/h4-13,16H,1-3H3
InChIKeyHPYOLIQEFJCHSW-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(phenylsulfanyl)methyl-trimethylsilane?
The IUPAC name of bis(phenylsulfanyl)methyl-trimethylsilane (CID 10968737) is bis(phenylsulfanyl)methyl-trimethylsilane.
What is the SMILES notation for bis(phenylsulfanyl)methyl-trimethylsilane?
The canonical SMILES for bis(phenylsulfanyl)methyl-trimethylsilane is C[Si](C)(C)C(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of bis(phenylsulfanyl)methyl-trimethylsilane?
The InChIKey is HPYOLIQEFJCHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20S2Si/c1-19(2,3)16(17-14-10-6-4-7-11-14)18-15-12-8-5-9-13-15/h4-13,16H,1-3H3.
What are the key properties of bis(phenylsulfanyl)methyl-trimethylsilane?
bis(phenylsulfanyl)methyl-trimethylsilane has a molecular weight of 304.56 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylsulfanyl)methyl-trimethylsilane is sourced from PubChem (CID 10968737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).