[(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane

C28H28OSSi — CID 135079533

IUPAC[(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane
SMILESCS[C@@H](c1ccccc1)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28OSSi/c1-23(28(30-2)24-15-7-3-8-16-24)29-31(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3/t23-,28-/m1/s1
InChIKeyCSOFALFXLIAWLI-QDPGVEIFSA-N
MW440.68 g/mol
LogP5.16
Rot. Bonds8

About [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane

[(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane (PubChem CID 135079533) has the molecular formula C28H28OSSi and a molecular weight of 440.68 g/mol. Its IUPAC name is [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane.

Molecular Properties

Compound Name[(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane
PubChem CID135079533
Molecular FormulaC28H28OSSi
Molecular Weight440.68 g/mol
Exact Mass440.16
IUPAC Name[(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane
SMILESCS[C@@H](c1ccccc1)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28OSSi/c1-23(28(30-2)24-15-7-3-8-16-24)29-31(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3/t23-,28-/m1/s1
InChIKeyCSOFALFXLIAWLI-QDPGVEIFSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.68
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Fluorophenyl)ethoxy-triphenylsilane
CID 132487964
Phenethoxytriphenylsilane
CID 3322017
Silane, (1,1-dimethylethyl)diphenyl(2-phenylethoxy)-
CID 10992038
Diphenyldi(1-phenylethoxy)silane
CID 68535172
Diphenyl-bis(2-phenylethoxy)silane
CID 69050881
[3-[Tert-butyl(diphenyl)silyl]oxy-1-(4-fluorophenyl)propyl] thiocyanate
CID 58102119
S-[3-[tert-butyl(diphenyl)silyl]oxy-2-(4-fluorophenyl)propyl] ethanethioate
CID 169204240
diphenyl-bis[(1R)-1-phenylprop-2-enoxy]silane
CID 10503655
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
(4S,7S)-4,7-dibenzyl-2,2-diphenyl-4,7-dihydro-1,3,2-dioxasilepine
CID 10742121
diphenyl-bis[[(2S)-1-phenylbut-3-en-2-yl]oxy]silane
CID 10766970
Tert-butyl-dimethyl-(2-methylsulfanyl-2-phenylethoxy)silane
CID 12061431

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane?
The IUPAC name of [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane (CID 135079533) is [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane.
What is the SMILES notation for [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane?
The canonical SMILES for [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane is CS[C@@H](c1ccccc1)[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane?
The InChIKey is CSOFALFXLIAWLI-QDPGVEIFSA-N. The full InChI is InChI=1S/C28H28OSSi/c1-23(28(30-2)24-15-7-3-8-16-24)29-31(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23,28H,1-2H3/t23-,28-/m1/s1.
What are the key properties of [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane?
[(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane has a molecular weight of 440.68 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-methylsulfanyl-1-phenylpropan-2-yl]oxy-triphenylsilane is sourced from PubChem (CID 135079533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).