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

C13H21NO2SSi — CID 101434122

IUPACS-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate
SMILESCC(C)(C)[Si](C)(C)OCC(=O)Sc1ccccn1
InChIInChI=1S/C13H21NO2SSi/c1-13(2,3)18(4,5)16-10-12(15)17-11-8-6-7-9-14-11/h6-9H,10H2,1-5H3
InChIKeyCQHMBCXZVZPLJR-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.72
Rot. Bonds4

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

S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate (PubChem CID 101434122) has the molecular formula C13H21NO2SSi and a molecular weight of 283.47 g/mol. Its IUPAC name is S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate.

Molecular Properties

Compound NameS-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate
PubChem CID101434122
Molecular FormulaC13H21NO2SSi
Molecular Weight283.47 g/mol
Exact Mass283.11
IUPAC NameS-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate
SMILESCC(C)(C)[Si](C)(C)OCC(=O)Sc1ccccn1
InChIInChI=1S/C13H21NO2SSi/c1-13(2,3)18(4,5)16-10-12(15)17-11-8-6-7-9-14-11/h6-9H,10H2,1-5H3
InChIKeyCQHMBCXZVZPLJR-UHFFFAOYSA-N
XLogP3.72
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate?
The IUPAC name of S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate (CID 101434122) is S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate.
What is the SMILES notation for S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate?
The canonical SMILES for S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate is CC(C)(C)[Si](C)(C)OCC(=O)Sc1ccccn1.
What is the InChIKey of S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate?
The InChIKey is CQHMBCXZVZPLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2SSi/c1-13(2,3)18(4,5)16-10-12(15)17-11-8-6-7-9-14-11/h6-9H,10H2,1-5H3.
What are the key properties of S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate?
S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate has a molecular weight of 283.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-pyridin-2-yl 2-[tert-butyl(dimethyl)silyl]oxyethanethioate is sourced from PubChem (CID 101434122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).