S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate

C24H26O2SSi — CID 10319179

IUPACS-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate
SMILESCC(C)(C)[Si](OCC(=O)Sc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2SSi/c1-24(2,3)28(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-19-23(25)27-20-13-7-4-8-14-20/h4-18H,19H2,1-3H3
InChIKeyIREIZEJKXDHCBV-UHFFFAOYSA-N
MW406.62 g/mol
LogP4.88
Rot. Bonds6

About S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate

S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate (PubChem CID 10319179) has the molecular formula C24H26O2SSi and a molecular weight of 406.62 g/mol. Its IUPAC name is S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate.

Molecular Properties

Compound NameS-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate
PubChem CID10319179
Molecular FormulaC24H26O2SSi
Molecular Weight406.62 g/mol
Exact Mass406.14
IUPAC NameS-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate
SMILESCC(C)(C)[Si](OCC(=O)Sc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26O2SSi/c1-24(2,3)28(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-19-23(25)27-20-13-7-4-8-14-20/h4-18H,19H2,1-3H3
InChIKeyIREIZEJKXDHCBV-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.62
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate?
The IUPAC name of S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate (CID 10319179) is S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate.
What is the SMILES notation for S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate?
The canonical SMILES for S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate is CC(C)(C)[Si](OCC(=O)Sc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate?
The InChIKey is IREIZEJKXDHCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2SSi/c1-24(2,3)28(21-15-9-5-10-16-21,22-17-11-6-12-18-22)26-19-23(25)27-20-13-7-4-8-14-20/h4-18H,19H2,1-3H3.
What are the key properties of S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate?
S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate has a molecular weight of 406.62 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenyl 2-[tert-butyl(diphenyl)silyl]oxyethanethioate is sourced from PubChem (CID 10319179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).