2-phenylsulfanyl-2-triphenylsilylethanol

C26H24OSSi — CID 10938546

IUPAC2-phenylsulfanyl-2-triphenylsilylethanol
SMILESOCC(Sc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24OSSi/c27-21-26(28-22-13-5-1-6-14-22)29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyLAEAOGGBAAEKAR-UHFFFAOYSA-N
MW412.63 g/mol
LogP3.85
Rot. Bonds7

About 2-phenylsulfanyl-2-triphenylsilylethanol

2-phenylsulfanyl-2-triphenylsilylethanol (PubChem CID 10938546) has the molecular formula C26H24OSSi and a molecular weight of 412.63 g/mol. Its IUPAC name is 2-phenylsulfanyl-2-triphenylsilylethanol.

Molecular Properties

Compound Name2-phenylsulfanyl-2-triphenylsilylethanol
PubChem CID10938546
Molecular FormulaC26H24OSSi
Molecular Weight412.63 g/mol
Exact Mass412.13
IUPAC Name2-phenylsulfanyl-2-triphenylsilylethanol
SMILESOCC(Sc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24OSSi/c27-21-26(28-22-13-5-1-6-14-22)29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2
InChIKeyLAEAOGGBAAEKAR-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-phenylsulfanyl-2-triphenylsilylethanol?
The IUPAC name of 2-phenylsulfanyl-2-triphenylsilylethanol (CID 10938546) is 2-phenylsulfanyl-2-triphenylsilylethanol.
What is the SMILES notation for 2-phenylsulfanyl-2-triphenylsilylethanol?
The canonical SMILES for 2-phenylsulfanyl-2-triphenylsilylethanol is OCC(Sc1ccccc1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-2-triphenylsilylethanol?
The InChIKey is LAEAOGGBAAEKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24OSSi/c27-21-26(28-22-13-5-1-6-14-22)29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20,26-27H,21H2.
What are the key properties of 2-phenylsulfanyl-2-triphenylsilylethanol?
2-phenylsulfanyl-2-triphenylsilylethanol has a molecular weight of 412.63 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-2-triphenylsilylethanol is sourced from PubChem (CID 10938546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).