trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane

C17H22SSi — CID 168720141

IUPACtrimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane
SMILESCSc1ccc(C(c2ccccc2)[Si](C)(C)C)cc1
InChIInChI=1S/C17H22SSi/c1-18-16-12-10-15(11-13-16)17(19(2,3)4)14-8-6-5-7-9-14/h5-13,17H,1-4H3
InChIKeyHZCQCIUAGQLLRI-UHFFFAOYSA-N
MW286.52 g/mol
LogP5.42
Rot. Bonds4

About trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane

trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane (PubChem CID 168720141) has the molecular formula C17H22SSi and a molecular weight of 286.52 g/mol. Its IUPAC name is trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane.

Molecular Properties

Compound Nametrimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane
PubChem CID168720141
Molecular FormulaC17H22SSi
Molecular Weight286.52 g/mol
Exact Mass286.12
IUPAC Nametrimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane
SMILESCSc1ccc(C(c2ccccc2)[Si](C)(C)C)cc1
InChIInChI=1S/C17H22SSi/c1-18-16-12-10-15(11-13-16)17(19(2,3)4)14-8-6-5-7-9-14/h5-13,17H,1-4H3
InChIKeyHZCQCIUAGQLLRI-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane?
The IUPAC name of trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane (CID 168720141) is trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane.
What is the SMILES notation for trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane?
The canonical SMILES for trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane is CSc1ccc(C(c2ccccc2)[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane?
The InChIKey is HZCQCIUAGQLLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22SSi/c1-18-16-12-10-15(11-13-16)17(19(2,3)4)14-8-6-5-7-9-14/h5-13,17H,1-4H3.
What are the key properties of trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane?
trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane has a molecular weight of 286.52 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane is sourced from PubChem (CID 168720141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).