2-phenyl-2-trimethylsilylethanesulfinate

C11H17O2SSi- — CID 57176564

IUPAC2-phenyl-2-trimethylsilylethanesulfinate
SMILESC[Si](C)(C)C(CS(=O)[O-])c1ccccc1
InChIInChI=1S/C11H18O2SSi/c1-15(2,3)11(9-14(12)13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,12,13)/p-1
InChIKeyNQFBJHKAQCWWKR-UHFFFAOYSA-M
MW241.41 g/mol
LogP2.53
Rot. Bonds4

About 2-phenyl-2-trimethylsilylethanesulfinate

2-phenyl-2-trimethylsilylethanesulfinate (PubChem CID 57176564) has the molecular formula C11H17O2SSi- and a molecular weight of 241.41 g/mol. Its IUPAC name is 2-phenyl-2-trimethylsilylethanesulfinate.

Molecular Properties

Compound Name2-phenyl-2-trimethylsilylethanesulfinate
PubChem CID57176564
Molecular FormulaC11H17O2SSi-
Molecular Weight241.41 g/mol
Exact Mass241.07
IUPAC Name2-phenyl-2-trimethylsilylethanesulfinate
SMILESC[Si](C)(C)C(CS(=O)[O-])c1ccccc1
InChIInChI=1S/C11H18O2SSi/c1-15(2,3)11(9-14(12)13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,12,13)/p-1
InChIKeyNQFBJHKAQCWWKR-UHFFFAOYSA-M
XLogP2.53
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-trimethylsilylethanesulfinate?
The IUPAC name of 2-phenyl-2-trimethylsilylethanesulfinate (CID 57176564) is 2-phenyl-2-trimethylsilylethanesulfinate.
What is the SMILES notation for 2-phenyl-2-trimethylsilylethanesulfinate?
The canonical SMILES for 2-phenyl-2-trimethylsilylethanesulfinate is C[Si](C)(C)C(CS(=O)[O-])c1ccccc1.
What is the InChIKey of 2-phenyl-2-trimethylsilylethanesulfinate?
The InChIKey is NQFBJHKAQCWWKR-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H18O2SSi/c1-15(2,3)11(9-14(12)13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,12,13)/p-1.
What are the key properties of 2-phenyl-2-trimethylsilylethanesulfinate?
2-phenyl-2-trimethylsilylethanesulfinate has a molecular weight of 241.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-trimethylsilylethanesulfinate is sourced from PubChem (CID 57176564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).