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

C14H22O2SSi — CID 10333997

IUPACS-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate
SMILESCC(C)(C)[Si](C)(C)OCC(=O)Sc1ccccc1
InChIInChI=1S/C14H22O2SSi/c1-14(2,3)18(4,5)16-11-13(15)17-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyNYWIUDJLAGXPDG-UHFFFAOYSA-N
MW282.48 g/mol
LogP4.33
Rot. Bonds4

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

S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate (PubChem CID 10333997) has the molecular formula C14H22O2SSi and a molecular weight of 282.48 g/mol. Its IUPAC name is S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate.

Molecular Properties

Compound NameS-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate
PubChem CID10333997
Molecular FormulaC14H22O2SSi
Molecular Weight282.48 g/mol
Exact Mass282.11
IUPAC NameS-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate
SMILESCC(C)(C)[Si](C)(C)OCC(=O)Sc1ccccc1
InChIInChI=1S/C14H22O2SSi/c1-14(2,3)18(4,5)16-11-13(15)17-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
InChIKeyNYWIUDJLAGXPDG-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 54.33
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'}

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Frequently Asked Questions

What is the IUPAC name of S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate?
The IUPAC name of S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate (CID 10333997) is S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate.
What is the SMILES notation for S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate?
The canonical SMILES for S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate is CC(C)(C)[Si](C)(C)OCC(=O)Sc1ccccc1.
What is the InChIKey of S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate?
The InChIKey is NYWIUDJLAGXPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2SSi/c1-14(2,3)18(4,5)16-11-13(15)17-12-9-7-6-8-10-12/h6-10H,11H2,1-5H3.
What are the key properties of S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate?
S-phenyl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate has a molecular weight of 282.48 g/mol, XLogP of 4.33, 4 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(dimethyl)silyl]oxyethanethioate is sourced from PubChem (CID 10333997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).